Name: Name:2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-1-oxo-,methyl ester
Brand: Angene
SKU: AG00I9NT
Rating: 90 (10 reviews)

2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-1-oxo-,methyl ester

CAS No.:

54125-61-0

Catalog Number:

AG00I9NT

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

Catalog Number:

AG00I9NT

Chemical Name:

2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-2-methyl-1-oxo-,methyl ester

CAS Number:

54125-61-0

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

MDL Number:

MFCD20233605

IUPAC Name:

methyl 2-methyl-1-oxo-3,4-dihydronaphthalene-2-carboxylate

InChI:

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

InChI Key:

FNKMQHVHFCYAFM-UHFFFAOYSA-N

SMILES:

COC(=O)C1(C)CCc2c(C1=O)cccc2

Complexity:

310

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:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5