Cas no 35714-17-1 (Benzoic acid, 3-(phenylmethyl)-, methyl ester)
35714-17-1 structure
Product Name:Benzoic acid, 3-(phenylmethyl)-, methyl ester
CAS No:35714-17-1
MF:C15H14O2
MW:226.270464420319
CID:1472145
PubChem ID:597640
Update Time:2025-04-20
Benzoic acid, 3-(phenylmethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-(phenylmethyl)-, methyl ester
- methyl 3-benzylbenzoate
- DTXSID40344531
- 3-Benzylbenzoic acid methyl ester
- SCHEMBL2069334
- m-Diphenylmethanecarboxylic acid methyl ester
- 3-benzyl-benzoic acid methyl ester
- 35714-17-1
- Methyl 3-benzylbenzoate #
-
- Inchi： 1S/C15H14O2/c1-17-15(16)14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
- InChI Key： YKYIGUKALDIXTL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=CC(=C1)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 226.09942
- Monoisotopic Mass: 226.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 243
- 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: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 3-(phenylmethyl)-, methyl ester Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
35714-17-1 (Benzoic acid, 3-(phenylmethyl)-, methyl ester) Related Products
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