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

3-(pyridin-2-yl)butanoic acid

CAS No.:
916262-56-1
Catalog Number:
AG00H4ZC
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
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Product Description
Catalog Number:
AG00H4ZC
Chemical Name:
3-(pyridin-2-yl)butanoic acid
CAS Number:
916262-56-1
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD11172899
IUPAC Name:
3-pyridin-2-ylbutanoic acid
InChI:
InChI=1S/C9H11NO2/c1-7(6-9(11)12)8-4-2-3-5-10-8/h2-5,7H,6H2,1H3,(H,11,12)
InChI Key:
GXQDIIZOQIDPSW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccn1)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  
Properties