Name: Name:5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Brand: Angene
SKU: AG01EJWH
Rating: 90 (10 reviews)

5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

CAS No.:

166977-95-3

Catalog Number:

AG01EJWH

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

Catalog Number:

AG01EJWH

Chemical Name:

5,5-dimethyl-8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

CAS Number:

166977-95-3

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

MDL Number:

MFCD24483812

IUPAC Name:

5,5-dimethyl-8-oxo-6,7-dihydronaphthalene-2-carboxylic acid

InChI:

InChI=1S/C13H14O3/c1-13(2)6-5-11(14)9-7-8(12(15)16)3-4-10(9)13/h3-4,7H,5-6H2,1-2H3,(H,15,16)

InChI Key:

DGHJZSDUBZRQAR-UHFFFAOYSA-N

SMILES:

O=C1CCC(c2c1cc(cc2)C(=O)O)(C)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.252g/mol

Monoisotopic Mass:

218.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4