Cas no 62064-87-3 (Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]-)
![Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]- structure](https://ossimg.kuujia.com/scimg/62500/62064-87-3x500.png)
62064-87-3 structure
Product Name:Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]-
CAS No:62064-87-3
MF:C15H12O5
MW:272.252784729004
CID:459231
PubChem ID:71390289
Update Time:2025-04-19
Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]-
- 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]benzoic acid
- DTXSID80812209
- 62064-87-3
-
- Inchi： 1S/C15H12O5/c16-8-12-7-10(4-5-13(12)17)14(18)9-2-1-3-11(6-9)15(19)20/h1-7,16-17H,8H2,(H,19,20)
- InChI Key： RWSSIGCSTVXJJI-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C(C2C=CC=C(C(=O)O)C=2)=O)C=C1CO
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, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
62064-87-3 (Benzoic acid, 3-[4-hydroxy-3-(hydroxymethyl)benzoyl]-) Related Products
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