Cas no 146672-02-8 (Benzoic-carboxy-13C acid, 4-hydroxy- (9CI))
146672-02-8 structure
Product Name:Benzoic-carboxy-13C acid, 4-hydroxy- (9CI)
CAS No:146672-02-8
MF:C7H6O3
MW:139.113397121429
CID:137995
PubChem ID:16213281
Update Time:2025-04-19
Benzoic-carboxy-13C acid, 4-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-carboxy-13C acid, 4-hydroxy- (9CI)
- 4-hydroxybenzoic acid
- 4-HYDROXYBENZOIC ACID, [CARBOXYL-13C]
- 4-Hydroxybenzoic acid-α-13C
- 4-HYDROXYBENZOIC ACID-ALPHA-13C
- 4-hydroxybenzoic-carboxy-13C acid
- 4-Hydroxybenzoic acid-13c
- CS-0541854
- 4-Hydroxybenzoic acid-alpha-13C, 99 atom % 13C
- 4-Hydroxy-Benzoic-carboxy-13C acid
- 4-Hydroxy(carboxy-~13~C)benzoic acid
- 146672-02-8
- HY-Y0264S2
- AKOS015910672
- Benzoic-carboxy-13c acid,4-hydroxy-(9ci)
- DTXSID40583842
- 4-HYDROXYBENZOIC-CARBOXY-13C ACID, 99 AT OM % 13C
-
- Inchi： 1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i7+1
- InChI Key： FJKROLUGYXJWQN-CDYZYAPPSA-N
- SMILES： OC1C=CC([13C](=O)O)=CC=1
Computed Properties
- Exact Mass: 139.035048885g/mol
- Monoisotopic Mass: 139.035048885g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 125
- 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: 1.6
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Melting Point: 214-215?°C(lit.)
Benzoic-carboxy-13C acid, 4-hydroxy- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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