Cas no 918540-64-4 (3-Buten-2-ol, 4-(3-nitrophenyl)-)
918540-64-4 structure
Product Name:3-Buten-2-ol, 4-(3-nitrophenyl)-
CAS No:918540-64-4
MF:C10H11NO3
MW:193.199242830276
CID:773239
PubChem ID:71426805
Update Time:2025-04-19
3-Buten-2-ol, 4-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-ol, 4-(3-nitrophenyl)-
- 4-(3-nitrophenyl)but-3-en-2-ol
- DTXSID80845557
- 918540-64-4
-
- Inchi： 1S/C10H11NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-8,12H,1H3
- InChI Key： GJMAPKWKNDSQBB-UHFFFAOYSA-N
- SMILES： OC(C)C=CC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 193.07389321g/mol
- Monoisotopic Mass: 193.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.7
- Topological Polar Surface Area: 66?2
3-Buten-2-ol, 4-(3-nitrophenyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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
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