Cas no 946-49-6 (3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)-)
946-49-6 structure
Product Name:3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)-
CAS No:946-49-6
MF:C10H9NO3
MW:191.183362722397
CID:804000
PubChem ID:5374468
Update Time:2025-04-19
3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)-
- (Z)-4-(4-Nitrophenyl)-3-buten-2-one
- 3490-37-7
- NSC-68341
- CS-0160976
- 4-(p-Nitrophenyl)-3-butene-2-one
- SODIUMDIHYDROGENPHOSPHATEANHYDROUS
- KMCRQJMZUHNLKJ-NSCUHMNNSA-N
- (3E)-4-(4-nitrophenyl)but-3-en-2-one
- SCHEMBL279483
- 946-49-6
- SCHEMBL811912
- EN300-140690
- 30625-98-0
- 4-nitrobenzalacetone
- 3-Buten-2-one, 4-(4-nitrophenyl)-, (Z)-
- CHEMBL72829
- EN300-332272
- (E)-4-(4-nitrophenyl)but-3-en-2-one
- NSC68341
- EINECS 213-422-7
- 3-Buten-2-one,4-(4-nitrophenyl)-
- AMY25147
- A911555
- 4-(4-nitrophenyl)but-3-en-2-one
- AS-19975
- Z234875198
- (3Z)-4-(4-Nitrophenyl)-3-buten-2-one
- 4-(4-NITROPHENYL)-3-BUTEN-2-ONE
- MFCD00661313
- AKOS001377365
- s12360
- 3-Buten-2-one 4-[p-nitrophenyl]-cis-
- DTXSID10876273
-
- Inchi： 1S/C10H9NO3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h2-7H,1H3/b3-2+
- InChI Key： KMCRQJMZUHNLKJ-NSCUHMNNSA-N
- SMILES： O=C(C)/C=C/C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 191.058243149g/mol
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 1.7
- Topological Polar Surface Area: 62.9?2
3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
946-49-6 (3-Buten-2-one,4-(4-nitrophenyl)-, (3Z)-) Related Products
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