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Home > Pyridines > 842971-94-2
842971-94-2 | 3-(6-METHYL-PYRIDIN-2-YL)-PROPIONIC ACID
CAS No: 842971-94-2 Catalog No: AG00G7JO MDL No:MFCD06011075
Product Description
Catalog Number:
AG00G7JO
Chemical Name:
3-(6-METHYL-PYRIDIN-2-YL)-PROPIONIC ACID
CAS Number:
842971-94-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD06011075
IUPAC Name:
3-(6-methylpyridin-2-yl)propanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7-3-2-4-8(10-7)5-6-9(11)12/h2-4H,5-6H2,1H3,(H,11,12)
InChI Key:
PJMIURVMDXNNSP-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)CCC(=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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