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89937-78-0 | Methyl 5-hydroxynicotinate hydrochloride
CAS No: 89937-78-0 Catalog No: AG003RXW MDL No:MFCD13191580
Product Description
Catalog Number:
AG003RXW
Chemical Name:
Methyl 5-hydroxynicotinate hydrochloride
CAS Number:
89937-78-0
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
MDL Number:
MFCD13191580
IUPAC Name:
methyl 5-hydroxypyridine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H7NO3.ClH/c1-11-7(10)5-2-6(9)4-8-3-5;/h2-4,9H,1H3;1H
InChI Key:
NBTTVNGGAWBBOX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)O.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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