Name: Name:2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester
Brand: Angene
SKU: AG000BHK
Rating: 90 (10 reviews)

2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester

CAS No.:

116047-26-8

Catalog Number:

AG000BHK

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

Catalog Number:

AG000BHK

Chemical Name:

2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-8-oxo-, methyl ester

CAS Number:

116047-26-8

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

MDL Number:

MFCD16037868

IUPAC Name:

methyl 8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

InChI:

InChI=1S/C12H12O3/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7H,2-4H2,1H3

InChI Key:

CIZUNRVGSYFMQM-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc2c(c1)C(=O)CCC2

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.225g/mol

Monoisotopic Mass:

204.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9