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129483-51-8 | 3-Pyridinepropanoic acid, 4-methyl-
CAS No: 129483-51-8 Catalog No: AG000Z6K MDL No:MFCD18259933
Product Description
Catalog Number:
AG000Z6K
Chemical Name:
3-Pyridinepropanoic acid, 4-methyl-
CAS Number:
129483-51-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD18259933
IUPAC Name:
3-(4-methylpyridin-3-yl)propanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7-4-5-10-6-8(7)2-3-9(11)12/h4-6H,2-3H2,1H3,(H,11,12)
InChI Key:
PYHZMMYMZLREKL-UHFFFAOYSA-N
SMILES:
Cc1ccncc1CCC(=O)O
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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