Cas no 365534-57-2 (2-(Hydroxymethyl)benzoic acid; Benzyl ester)
365534-57-2 structure
Product Name:2-(Hydroxymethyl)benzoic acid; Benzyl ester
CAS No:365534-57-2
MF:C15H14O3
MW:242.269864559174
CID:2824209
PubChem ID:11356918
Update Time:2025-04-21
2-(Hydroxymethyl)benzoic acid; Benzyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXSID90463428
- 365534-57-2
- Benzyl 2-(hydroxymethyl)benzoate
- SCHEMBL8839214
- CHRPKAXGVZNLMG-UHFFFAOYSA-N
- Benzyl2-(hydroxymethyl)benzoate
- BENZYL 2-HYDROXYMETHYLBENZOATE
- Benzyl hydroxymethylbenzoate
- 2-(Hydroxymethyl)benzoic acid; Benzyl ester
-
- Inchi： 1S/C15H14O3/c16-10-13-8-4-5-9-14(13)15(17)18-11-12-6-2-1-3-7-12/h1-9,16H,10-11H2
- InChI Key： CHRPKAXGVZNLMG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1CO)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 242.094294304g/mol
- Monoisotopic Mass: 242.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 259
- 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: 2.4
- Topological Polar Surface Area: 46.5?2
2-(Hydroxymethyl)benzoic acid; Benzyl ester Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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