Name: Name:3-methyl-5-oxocyclohexane-1,2-dicarboxylic acid
Brand: Angene
SKU: AG01BFJG
Rating: 90 (10 reviews)

3-methyl-5-oxocyclohexane-1,2-dicarboxylic acid

CAS No.:

15941-53-4

Catalog Number:

AG01BFJG

Molecular Formula:

C9H12O5

Molecular Weight:

200.1886

Catalog Number:

AG01BFJG

Chemical Name:

3-methyl-5-oxocyclohexane-1,2-dicarboxylic acid

CAS Number:

15941-53-4

Molecular Formula:

C9H12O5

Molecular Weight:

200.1886

MDL Number:

MFCD24487753

IUPAC Name:

3-methyl-5-oxocyclohexane-1,2-dicarboxylic acid

InChI:

InChI=1S/C9H12O5/c1-4-2-5(10)3-6(8(11)12)7(4)9(13)14/h4,6-7H,2-3H2,1H3,(H,11,12)(H,13,14)

InChI Key:

FTECSEOMYYNPLN-UHFFFAOYSA-N

SMILES:

O=C1CC(C)C(C(C1)C(=O)O)C(=O)O

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.19g/mol

Monoisotopic Mass:

200.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5