Cas no 7466-48-0 ((3E)-4-(3-nitrophenyl)but-3-en-2-one)
7466-48-0 structure
Product Name:(3E)-4-(3-nitrophenyl)but-3-en-2-one
CAS No:7466-48-0
MF:C10H9NO3
MW:191.183362722397
CID:979721
PubChem ID:5374502
Update Time:2025-04-19
(3E)-4-(3-nitrophenyl)but-3-en-2-one Chemical and Physical Properties
Names and Identifiers
-
- (3E)-4-(3-nitrophenyl)but-3-en-2-one
- 4-(3-nitrophenyl)but-3-en-2-one
- (E)-4-(3-nitrophenyl)but-3-en-2-one
- AC1L828M
- CTK2H9995
- SureCN1405151
- 30625-99-1
- (3E)-4-(3-Nitrophenyl)-3-buten-2-one
- m-Nitrobenzalacetone
- CHEMBL310483
- (E)-4-(3-Nitrophenyl)-3-buten-2-one
- 4-(3-NITRO-PHENYL)-BUT-3-EN-2-ONE
- 7466-48-0
- 4-(m-Nitrophenyl)-3-buten-2-one
- NSC402628
- EN300-1866620
- AKOS003631292
- 4-(3-nitrophenyl)-3-buten-2-one
- m-Nitrobenzylideneacetone
- 38DY6S7X2Q
- SCHEMBL1405150
- 4-(3-nitrophenyl)but-3-en-2-one, (E)-
- NSC-402628
- (3E)-4-(3-Nitrophenyl)-3-buten-2-one #
- (E)-4-(3-Nitrophenyl)-but-3-en-2-one
- 3-Buten-2-one, 4-(3-nitrophenyl)-, (3E)-
- HS-7316
-
- Inchi： 1S/C10H9NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-7H,1H3/b6-5+
- InChI Key： OPKJBIYOZSELCA-AATRIKPKSA-N
- SMILES： O=C(C)/C=C/C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 191.05827
- Monoisotopic Mass: 191.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- Density: 1.226
- Boiling Point: 345.3°C at 760 mmHg
- Flash Point: 169.2°C
- Refractive Index: 1.6
- PSA: 60.21
- LogP: 2.72020
(3E)-4-(3-nitrophenyl)but-3-en-2-one Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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