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148460-90-6 | Benzoic acid, 2,3-dihydroxy-6-methoxy-
CAS No: 148460-90-6 Catalog No: AG001KXJ MDL No:MFCD20654864
Product Description
Catalog Number:
AG001KXJ
Chemical Name:
Benzoic acid, 2,3-dihydroxy-6-methoxy-
CAS Number:
148460-90-6
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD20654864
IUPAC Name:
2,3-dihydroxy-6-methoxybenzoic acid
InChI:
InChI=1S/C8H8O5/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,9-10H,1H3,(H,11,12)
InChI Key:
UYIMUZPVXLUSDF-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)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:
1.3
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