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5470-70-2 | Methyl 6-methylnicotinate
CAS No: 5470-70-2 Catalog No: AG00358E MDL No:MFCD00006340
Product Description
Catalog Number:
AG00358E
Chemical Name:
Methyl 6-methylnicotinate
CAS Number:
5470-70-2
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD00006340
IUPAC Name:
methyl 6-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3
InChI Key:
VYPPZXZHYDSBSJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)C
UNII:
YA0K0CM5PK
NSC Number:
27973
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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