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116530-57-5 | Benzoic acid, 5-hydroxy-2,3-dimethoxy-
CAS No: 116530-57-5 Catalog No: AG000CP7 MDL No:
Product Description
Catalog Number:
AG000CP7
Chemical Name:
Benzoic acid, 5-hydroxy-2,3-dimethoxy-
CAS Number:
116530-57-5
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
IUPAC Name:
5-hydroxy-2,3-dimethoxybenzoic acid
InChI:
InChI=1S/C9H10O5/c1-13-7-4-5(10)3-6(9(11)12)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)
InChI Key:
GBLNHVGTBAVGLL-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C(=O)O)O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.174g/mol
Monoisotopic Mass:
198.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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