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1379187-95-7 | Benzoic acid, 3,5-dihydroxy-2-methoxy-
CAS No: 1379187-95-7 Catalog No: AG00143U MDL No:
Product Description
Catalog Number:
AG00143U
Chemical Name:
Benzoic acid, 3,5-dihydroxy-2-methoxy-
CAS Number:
1379187-95-7
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
IUPAC Name:
3,5-dihydroxy-2-methoxybenzoic acid
InChI:
InChI=1S/C8H8O5/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
InChI Key:
GBQADCZRNDEOHH-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(cc1C(=O)O)O
Properties
Complexity:
193
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:
3
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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