Cas no 620-46-2 (Benzoic acid, 2-hydroxy-, 3-methylphenyl ester)
620-46-2 structure
Product Name:Benzoic acid, 2-hydroxy-, 3-methylphenyl ester
CAS No:620-46-2
MF:C14H12O3
MW:228.243284225464
CID:1635751
PubChem ID:10966248
Update Time:2025-04-21
Benzoic acid, 2-hydroxy-, 3-methylphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-, 3-methylphenyl ester
- (3-methylphenyl) 2-hydroxybenzoate
- 620-46-2
- 3-METHYLPHENYL 2-HYDROXYBENZOATE
- DTXSID00450127
- SCHEMBL8205625
-
- Inchi： 1S/C14H12O3/c1-10-5-4-6-11(9-10)17-14(16)12-7-2-3-8-13(12)15/h2-9,15H,1H3
- InChI Key： WYCMXEZEGOOMSO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1O)=O)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 228.07866
- Monoisotopic Mass: 228.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 264
- 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: 4.3
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 2-hydroxy-, 3-methylphenyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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