Home Carboxys 7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

CAS No.:
106551-79-5
Catalog Number:
AG009OEE
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$338
- +
Product Description
Catalog Number:
AG009OEE
Chemical Name:
7,7-Dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid
CAS Number:
106551-79-5
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD08692072
IUPAC Name:
7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c1-12(2)4-8-6(9(14)5-12)3-7(11(16)17)10(15)13-8/h3H,4-5H2,1-2H3,(H,13,15)(H,16,17)
InChI Key:
MQRMDFYECNBBTG-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1cc(C(=O)O)c(=O)[nH]2
Properties
Complexity:
497  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties