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85147-15-5 | Ethyl 2-hydroxy-5-methylnicotinate
CAS No: 85147-15-5 Catalog No: AG004WT5 MDL No:MFCD16610974
Product Description
Catalog Number:
AG004WT5
Chemical Name:
Ethyl 2-hydroxy-5-methylnicotinate
CAS Number:
85147-15-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD16610974
IUPAC Name:
ethyl 5-methyl-2-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO3/c1-3-13-9(12)7-4-6(2)5-10-8(7)11/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
SHMGIWFOGZOREN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cnc1O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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