Home Other Building Blocks 3-(2-oxo-1,2-dihydroquinolin-3-yl)propanoic acid

3-(2-oxo-1,2-dihydroquinolin-3-yl)propanoic acid

CAS No.:
37618-03-4
Catalog Number:
AG00VSI8
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG00VSI8
Chemical Name:
3-(2-oxo-1,2-dihydroquinolin-3-yl)propanoic acid
CAS Number:
37618-03-4
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD09895305
IUPAC Name:
3-(2-oxo-1H-quinolin-3-yl)propanoic acid
InChI:
InChI=1S/C12H11NO3/c14-11(15)6-5-9-7-8-3-1-2-4-10(8)13-12(9)16/h1-4,7H,5-6H2,(H,13,16)(H,14,15)
InChI Key:
MAJKZLDETGGBOT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc2ccccc2[nH]c1=O
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties