Cas no 17812-07-6 ((2E)-4-oxo-4-phenylbut-2-enoic acid)

(2E)-4-oxo-4-phenylbut-2-enoic acid structure

17812-07-6 structure

Product Name:(2E)-4-oxo-4-phenylbut-2-enoic acid

CAS No:17812-07-6

MF:C₁₀H₈O₃

MW:176.168723106384

CID:50888

PubChem ID:676116

Update Time:2025-04-18

(2E)-4-oxo-4-phenylbut-2-enoic acid Chemical and Physical Properties

Names and Identifiers

- trans-3-Benzoylacrylic acid
- (E)-3-Benzoylacrylic acid
- (E)-4-Oxo-4-phenyl-2-butenoic acid
- 4-oxo-4-phenylbut-2-enoic acid
- (E)-4-phenyl-4-oxo-2-butenoic acid
- 3-benzoyl acrylic acid
- trans-4-oxo-4-phenyl-2-butenoic acid
- AURORA 23287
- TIMTEC-BB SBB007952
- BENZOYL ACRYLIC ACID
- TRANS-3-BENZOYLACETICACID
- BETA-BENZOYL ACRYLIC ACID
- TRANS-BENZOYLACRYLIC ACID
- AKOS BBS-00002157
- 3-BENZOYLACRYLIC ACID
- OTAVA-BB BB7110952594
- (2E)-4-oxo-4-phenylbut-2-enoic acid
- trans-beta-benzoylacrylic acid
- EN300-1588441
- (2E)-4-Oxo-4-phenyl-2-butenoic acid
- AS-57498
- AE-641/02009001
- ss-Benzoyl-acrylsaure
- EINECS 209-496-5
- ss-Benzoylacrylic acid
- 583-06-2
- NSC-143
- NCGC00341436-01
- 3-Benzoylacrylic acid, predominantly trans
- InChI=1/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6
- BDBM50125821
- NSC143
- EN300-18942
- 4-Oxo-4-phenylcrotonic acid
- NS00033901
- NSC 143
- 2-butenoic acid, 4-oxo-4-phenyl-, (2E)-
- 4-Oxo-4-phenyl-but-2-enoic acid
- trans-3-Benzoylacrylicacid
- 2-Butenoic acid, 4-oxo-4-phenyl-
- DTXSID1060392
- (E)-4-oxo-4-phenyl-but-2-enoic acid
- BB 0218773
- DTXSID30901612
- CHEMBL16365
- NoName_745
- AC-14424
- CS-0368601
- F2103-0016
- HMS1579K08
- 4-Oxo-4-phenyl-2-butenoic acid
- 17812-07-6
- 4-Phenyl-4-oxo-2-butenoic acid
- 4-oxo-4-phenylbut-2-enoicacid
- AKOS000267606
- SCHEMBL312429
- Acrylic acid, 3-benzoyl-
- Z2895088074
- A1-01400
- MFCD00014015
- AI3-26616
- A831824
- .beta.-Benzoylacrylic acid
- W-111702
- Benzoylacrylic acid
- CS-0040775
- Crotonic acid, 4-oxo-4-phenyl-
- (E)-4-oxo-4-phenylbut-2-enoic acid
- 7N-710
- AB01332184-02
- BBL007891
- ALBB-025661
- STK358786
- 605-817-1
- Acrylic acid, 3benzoyl (6CI,7CI,8CI)
- 209-496-5
- 2Butenoic acid, 4oxo4phenyl
- 4Phenyl4oxo2butenoic acid
- Acrylic acid, 3benzoyl
- Crotonic acid, 4oxo4phenyl
- 4Oxo4phenyl2butenoic acid
- Inchi： 1S/C10H8O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-7H,(H,12,13)/b7-6+
- InChI Key： PLPDHGOODMBBGN-VOTSOKGWSA-N
- SMILES： O=C(/C=C/C(=O)O)C1C=CC=CC=1

Computed Properties

Exact Mass: 176.04700
Monoisotopic Mass: 176.047344113g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 224
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: 1.5
Topological Polar Surface Area: 54.4?2

Experimental Properties

Color/Form: Not determined
Density: 1.238
Melting Point: 96-98 oC
PSA: 54.37000
LogP: 1.51010
Solubility: Not determined

(2E)-4-oxo-4-phenylbut-2-enoic acid Security Information

Hazardous Material transportation number：UN 2811 6.1/PG 3
WGK Germany：3
Hazard Category Code： R36/37/38: irritating to eyes, respiratory tract and skin
Safety Instruction： S26; S36
RTECS：EM9259050
Hazardous Material Identification：
Risk Phrases：R36/37/38

(2E)-4-oxo-4-phenylbut-2-enoic acid Pricemore >>

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Key Organics Ltd	7N-710-0.5G	(E)-4-oxo-4-phenyl-2-butenoic acid	17812-07-6	>95%	0.5g	￡55.00	2023-09-07
Key Organics Ltd	7N-710-1G	(E)-4-oxo-4-phenyl-2-butenoic acid	17812-07-6	>95%	1g	￡110.00	2023-09-07
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Key Organics Ltd	7N-710-10G	(E)-4-oxo-4-phenyl-2-butenoic acid	17812-07-6	>95%	10g	￡110.00	2025-02-09
Enamine	EN300-1588441-0.05g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	0.05g	$19.0	2025-03-21
Enamine	EN300-1588441-0.1g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	0.1g	$19.0	2025-03-21
Enamine	EN300-1588441-0.25g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	0.25g	$19.0	2025-03-21
Enamine	EN300-1588441-0.5g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	0.5g	$19.0	2025-03-21
Enamine	EN300-1588441-1.0g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	1.0g	$19.0	2025-03-21
Enamine	EN300-1588441-2.5g	(2E)-4-oxo-4-phenylbut-2-enoic acid	17812-07-6	95.0%	2.5g	$20.0	2025-03-21