Cas no 115918-62-2 (Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI))
115918-62-2 structure
Product Name:Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI)
CAS No:115918-62-2
MF:C7H6O3
MW:150.075990200043
CID:138865
PubChem ID:102602065
Update Time:2025-04-19
Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI)
- SALICYLIC ACID-RING-UL-14C
- SALICYLIC ACID, [PHENYL-14C(U)]
- 115918-62-2
-
- Inchi： 1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/i1+2,2+2,3+2,4+2,5+2,6+2
- InChI Key： YGSDEFSMJLZEOE-YROCTSJKSA-N
- SMILES： O[14C]1[14CH]=[14CH][14CH]=[14CH][14C]=1C(=O)O
Computed Properties
- Exact Mass: 66.09588
- Monoisotopic Mass: 150.0511460g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 2.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI) Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
115918-62-2 (Benzoic-1,2,3,4,5,6-14C6acid, 2-hydroxy- (9CI)) Related Products
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