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1949815-77-3 | "5-hydroxy-2,6-dimethoxynicotinic acid"
CAS No: 1949815-77-3 Catalog No: AG01FM09 MDL No:MFCD29999491
Product Description
Catalog Number:
AG01FM09
Chemical Name:
"5-hydroxy-2,6-dimethoxynicotinic acid"
CAS Number:
1949815-77-3
Molecular Formula:
C8H9NO5
Molecular Weight:
199.1608
MDL Number:
MFCD29999491
IUPAC Name:
5-hydroxy-2,6-dimethoxypyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO5/c1-13-6-4(8(11)12)3-5(10)7(9-6)14-2/h3,10H,1-2H3,(H,11,12)
InChI Key:
QUNVALWGVPVHAI-UHFFFAOYSA-N
SMILES:
COc1nc(OC)c(cc1C(=O)O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.162g/mol
Monoisotopic Mass:
199.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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