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70580-36-8 | 3-(2-Methyl-Pyridin-3-Yl)-Propionic Acid
CAS No: 70580-36-8 Catalog No: AG00IC2U MDL No:MFCD12913807
Product Description
Catalog Number:
AG00IC2U
Chemical Name:
3-(2-Methyl-Pyridin-3-Yl)-Propionic Acid
CAS Number:
70580-36-8
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD12913807
IUPAC Name:
3-(2-methylpyridin-3-yl)propanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7-8(3-2-6-10-7)4-5-9(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
KDBNITMMYDMHGT-UHFFFAOYSA-N
SMILES:
Cc1ncccc1CCC(=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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