Home Carboxys 2-oxo-decahydroquinoline-4-carboxylic acid

2-oxo-decahydroquinoline-4-carboxylic acid

CAS No.:
1989659-74-6
Catalog Number:
AG01B5BO
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
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Product Description
Catalog Number:
AG01B5BO
Chemical Name:
2-oxo-decahydroquinoline-4-carboxylic acid
CAS Number:
1989659-74-6
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD30342644
IUPAC Name:
2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxylic acid
InChI:
InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChI Key:
KZIFWTRFOOLYIE-UHFFFAOYSA-N
SMILES:
O=C1NC2CCCCC2C(C1)C(=O)O
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties