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1017146-67-6 | 3-Pyridinepropanoic acid, α-methyl-
CAS No: 1017146-67-6 Catalog No: AG0005AW MDL No:MFCD09894699
Product Description
Catalog Number:
AG0005AW
Chemical Name:
3-Pyridinepropanoic acid, α-methyl-
CAS Number:
1017146-67-6
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD09894699
IUPAC Name:
2-methyl-3-pyridin-3-ylpropanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7(9(11)12)5-8-3-2-4-10-6-8/h2-4,6-7H,5H2,1H3,(H,11,12)
InChI Key:
DZRWATJWDHWPJW-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cccnc1)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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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