Home Other Building Blocks 3-methyl-2-(pyridin-3-yl)butanoic acid

3-methyl-2-(pyridin-3-yl)butanoic acid

CAS No.:
699527-72-5
Catalog Number:
AG019Z9K
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG019Z9K
Chemical Name:
3-methyl-2-(pyridin-3-yl)butanoic acid
CAS Number:
699527-72-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD16748891
IUPAC Name:
3-methyl-2-pyridin-3-ylbutanoic acid
InChI:
InChI=1S/C10H13NO2/c1-7(2)9(10(12)13)8-4-3-5-11-6-8/h3-7,9H,1-2H3,(H,12,13)
InChI Key:
ZKDCKGIFVNLHSZ-UHFFFAOYSA-N
SMILES:
CC(C(c1cccnc1)C(=O)O)C
Properties
Complexity:
180  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties