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29511-09-9 | Benzeneacetic acid, 3,4,5-trihydroxy-
CAS No: 29511-09-9 Catalog No: AG002YLL MDL No:
Product Description
Catalog Number:
AG002YLL
Chemical Name:
Benzeneacetic acid, 3,4,5-trihydroxy-
CAS Number:
29511-09-9
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
IUPAC Name:
2-(3,4,5-trihydroxyphenyl)acetic acid
InChI:
InChI=1S/C8H8O5/c9-5-1-4(3-7(11)12)2-6(10)8(5)13/h1-2,9-10,13H,3H2,(H,11,12)
InChI Key:
DOUMISZLKFGEAX-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(O)c(c(c1)O)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Antioxidant profile of dihydroxy- and trihydroxyphenolic acids--a structure-activity relationship study. | Free radical research 20060401 |
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