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58997-10-7 | Ethyl 3-methylpicolinate
CAS No: 58997-10-7 Catalog No: AG003Q87 MDL No:MFCD11616893
Product Description
Catalog Number:
AG003Q87
Chemical Name:
Ethyl 3-methylpicolinate
CAS Number:
58997-10-7
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD11616893
IUPAC Name:
ethyl 3-methylpyridine-2-carboxylate
InChI:
InChI=1S/C9H11NO2/c1-3-12-9(11)8-7(2)5-4-6-10-8/h4-6H,3H2,1-2H3
InChI Key:
VKKVFRWNHZHHQU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncccc1C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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