Cas no 62064-84-0 (Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]-)
![Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]- structure](https://ossimg.kuujia.com/scimg/62500/62064-84-0x500.png)
62064-84-0 structure
Product Name:Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]-
CAS No:62064-84-0
MF:C15H12O5
MW:272.252784729004
CID:459233
PubChem ID:71390291
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]-
- 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]benzoic acid
- 62064-84-0
- DTXSID50812211
-
- Inchi： 1S/C15H12O5/c16-8-9-2-1-3-10(6-9)14(18)11-4-5-13(17)12(7-11)15(19)20/h1-7,16-17H,8H2,(H,19,20)
- InChI Key： QHZSIKRYGRYONV-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=C(C(=O)O)C=1)O)C1=CC=CC(CO)=C1
Computed Properties
- Exact Mass: 272.06846
- Monoisotopic Mass: 272.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 367
- 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: 2.1
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
Benzoic acid, 2-hydroxy-5-[3-(hydroxymethyl)benzoyl]- Related Literature
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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