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29681-45-6 | 3-Pyridinecarboxylic acid, 5-methyl-, methyl ester
CAS No: 29681-45-6 Catalog No: AG002Z3F MDL No:MFCD01075739
Product Description
Catalog Number:
AG002Z3F
Chemical Name:
3-Pyridinecarboxylic acid, 5-methyl-, methyl ester
CAS Number:
29681-45-6
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD01075739
IUPAC Name:
methyl 5-methylpyridine-3-carboxylate
InChI:
InChI=1S/C8H9NO2/c1-6-3-7(5-9-4-6)8(10)11-2/h3-5H,1-2H3
InChI Key:
KQILMMLAGGFMCM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)C
NSC Number:
83076
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:
1.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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