Name: Name:8,8-dimethyl-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid
Brand: Angene
SKU: AG01BJCP
Rating: 90 (10 reviews)

8,8-dimethyl-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid

CAS No.:

1145748-43-1

Catalog Number:

AG01BJCP

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

Catalog Number:

AG01BJCP

Chemical Name:

8,8-dimethyl-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid

CAS Number:

1145748-43-1

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

MDL Number:

MFCD19687981

IUPAC Name:

8,8-dimethyl-2-oxo-1,5,6,7-tetrahydroquinoline-3-carboxylic acid

InChI:

InChI=1S/C12H15NO3/c1-12(2)5-3-4-7-6-8(11(15)16)10(14)13-9(7)12/h6H,3-5H2,1-2H3,(H,13,14)(H,15,16)

InChI Key:

RJGBHQHXBRMRCG-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2CCCC(c2[nH]c1=O)(C)C

Complexity:

430

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.256g/mol

Monoisotopic Mass:

221.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1