Cas no 26446-57-1 (Benzeneacetic acid, trihydroxy-)
26446-57-1 structure
Product Name:Benzeneacetic acid, trihydroxy-
CAS No:26446-57-1
MF:C8H8O5
MW:184.146122932434
CID:238367
PubChem ID:18978906
Update Time:2025-04-19
Benzeneacetic acid, trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, trihydroxy-
- 2-(2,3,4-trihydroxyphenyl)acetic acid
- EN300-1837403
- trihydroxybenzeneacetic acid
- 1487579-87-2
- DTXSID30597054
- 26446-57-1
- SCHEMBL8685874
- (2,3,4-Trihydroxyphenyl)acetic acid
-
- Inchi： 1S/C8H8O5/c9-5-2-1-4(3-6(10)11)7(12)8(5)13/h1-2,9,12-13H,3H2,(H,10,11)
- InChI Key： OPRGVEJZGLRURR-UHFFFAOYSA-N
- SMILES： OC1C(=C(C=CC=1CC(=O)O)O)O
Computed Properties
- Exact Mass: 184.03714
- Monoisotopic Mass: 184.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 0.3
- Topological Polar Surface Area: 98?2
Experimental Properties
- PSA: 97.99
Benzeneacetic acid, trihydroxy- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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