Home Other Building Blocks 7,7-DIMETHYL-2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

7,7-DIMETHYL-2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID

CAS No.:
1420792-86-4
Catalog Number:
AG01DYQX
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
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Product Description
Catalog Number:
AG01DYQX
Chemical Name:
7,7-DIMETHYL-2-OXO-1,2,5,6,7,8-HEXAHYDRO-QUINOLINE-3-CARBOXYLIC ACID
CAS Number:
1420792-86-4
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD22688738
IUPAC Name:
7,7-dimethyl-2-oxo-1,5,6,8-tetrahydroquinoline-3-carboxylic acid
InChI:
InChI=1S/C12H15NO3/c1-12(2)4-3-7-5-8(11(15)16)10(14)13-9(7)6-12/h5H,3-4,6H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
RNOJKOGSFCPGGN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2CCC(Cc2[nH]c1=O)(C)C
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties