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28819-26-3 | 2-Pyridinepropanoic acid, Methyl ester
CAS No: 28819-26-3 Catalog No: AG002WNE MDL No:MFCD18803099
Product Description
Catalog Number:
AG002WNE
Chemical Name:
2-Pyridinepropanoic acid, Methyl ester
CAS Number:
28819-26-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD18803099
IUPAC Name:
methyl 3-pyridin-2-ylpropanoate
InChI:
InChI=1S/C9H11NO2/c1-12-9(11)6-5-8-4-2-3-7-10-8/h2-4,7H,5-6H2,1H3
InChI Key:
ZPCDIGGUGPUMON-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1ccccn1
Properties
Complexity:
148
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:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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