Cas no 55320-26-8 (benzoic-1-13c acid)
benzoic-1-13c acid structure
Product Name:benzoic-1-13c acid
CAS No:55320-26-8
MF:C7H6O2
MW:123.113996982574
CID:943731
PubChem ID:13000561
Update Time:2025-04-19
benzoic-1-13c acid Chemical and Physical Properties
Names and Identifiers
-
- benzoic-1-13c acid
- benzoic acid
- DTXSID00514713
- (1-~13~C)Benzoic acid
- AKOS015889226
- starbld0016547
- 55320-26-8
- (113C)cyclohexatrienecarboxylic acid
- Benzoic-1-13cacid
- Benzoic-1-13C acid, 99 atom % 13C
-
- Inchi： 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i6+1
- InChI Key： WPYMKLBDIGXBTP-PTQBSOBMSA-N
- SMILES： OC([13C]1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 123.040134265g/mol
- Monoisotopic Mass: 123.040134265g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 104
- 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: 1.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Melting Point: 121-125?°C(lit.)
- Boiling Point: 249?°C(lit.)
benzoic-1-13c acid Security Information
- WGK Germany：3
- Hazard Category Code： 22-37/38-41-42/43-36/38
- Safety Instruction： 22-26-36
-
Hazardous Material Identification：
benzoic-1-13c acid Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
55320-26-8 (benzoic-1-13c acid) Related Products
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- 99-04-7(3-methylbenzoic acid)
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