Cas no 701-46-2 (Benzoic acid, 3-nitroso- (9CI))
701-46-2 structure
Product Name:Benzoic acid, 3-nitroso- (9CI)
CAS No:701-46-2
MF:C7H5NO3
MW:151.119501829147
CID:1023086
PubChem ID:23423448
Update Time:2025-04-20
Benzoic acid, 3-nitroso- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-nitroso- (9CI)
- 3-Nitrosobenzoic acid
- SCHEMBL6512127
- DTXSID601314943
- m-nitrosobenzoic acid
- SCHEMBL9676480
- 701-46-2
- XGVGBXVWAPHQAY-UHFFFAOYSA-N
- DB-274537
- Benzoic acid, 3-nitroso-
-
- Inchi： 1S/C7H5NO3/c9-7(10)5-2-1-3-6(4-5)8-11/h1-4H,(H,9,10)
- InChI Key： XGVGBXVWAPHQAY-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=C(C=1)N=O)=O
Computed Properties
- Exact Mass: 151.026943022g/mol
- Monoisotopic Mass: 151.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 169
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 66.7?2
Benzoic acid, 3-nitroso- (9CI) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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