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5653-46-3 | 2-Hydroxy-3,4-dimethoxybenzoic acid
CAS No: 5653-46-3 Catalog No: AG00371X MDL No:MFCD00016498
Product Description
Catalog Number:
AG00371X
Chemical Name:
2-Hydroxy-3,4-dimethoxybenzoic acid
CAS Number:
5653-46-3
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
MDL Number:
MFCD00016498
IUPAC Name:
2-hydroxy-3,4-dimethoxybenzoic acid
InChI:
InChI=1S/C9H10O5/c1-13-6-4-3-5(9(11)12)7(10)8(6)14-2/h3-4,10H,1-2H3,(H,11,12)
InChI Key:
CJFQIVAOBBTJCI-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1O)C(=O)O
EC Number:
227-096-9
NSC Number:
37414
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:
1.9
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