Cas no 41998-14-5 (Ph ester-3-Methylbenzoic acid)
Ph ester-3-Methylbenzoic acid structure
Product Name:Ph ester-3-Methylbenzoic acid
CAS No:41998-14-5
MF:C14H12O2
MW:212.243884086609
CID:1999413
PubChem ID:576791
Update Time:2025-04-21
Ph ester-3-Methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Ph ester-3-Methylbenzoic acid
- SCHEMBL6057124
- 3-Methylbenzoic acid phenyl ester
- 41998-14-5
- m-Toluic acid, phenyl ester
- AKOS000579345
- Phenyl 3-methylbenzoate
- Phenyl 3-methylbenzoate #
- AN-652/40165549
-
- Inchi： 1S/C14H12O2/c1-11-6-5-7-12(10-11)14(15)16-13-8-3-2-4-9-13/h2-10H,1H3
- InChI Key： YFLYQBATJQHBPI-UHFFFAOYSA-N
- SMILES： CC1C=C(C(OC2C=CC=CC=2)=O)C=CC=1
Computed Properties
- Exact Mass: 212.083729621Da
- Monoisotopic Mass: 212.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 231
- 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
- Topological Polar Surface Area: 26.3?2
Ph ester-3-Methylbenzoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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