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26413-65-0 | 4-Pyridinepropanoic acid, 2-methyl-
CAS No: 26413-65-0 Catalog No: AG002T4C MDL No:MFCD19981669
Product Description
Catalog Number:
AG002T4C
Chemical Name:
4-Pyridinepropanoic acid, 2-methyl-
CAS Number:
26413-65-0
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD19981669
IUPAC Name:
3-(2-methylpyridin-4-yl)propanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7-6-8(4-5-10-7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChI Key:
NWCOFMZVFDRCBB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccnc(c1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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