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162648-22-8 | 2,2-Dimethyl-3-(pyridin-2-yl)propanoic acid
CAS No: 162648-22-8 Catalog No: AG01FB2N MDL No:
Product Description
Catalog Number:
AG01FB2N
Chemical Name:
2,2-Dimethyl-3-(pyridin-2-yl)propanoic acid
CAS Number:
162648-22-8
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
2,2-dimethyl-3-pyridin-2-ylpropanoic acid
InChI:
InChI=1S/C10H13NO2/c1-10(2,9(12)13)7-8-5-3-4-6-11-8/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
UDDCGOHQYIVHBT-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1ccccn1)(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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