Name: Name:1(2H)-Naphthalenone, 7-ethynyl-3,4-dihydro-4,4-dimethyl-
Brand: Angene
SKU: AG001X29
Rating: 90 (10 reviews)

1(2H)-Naphthalenone, 7-ethynyl-3,4-dihydro-4,4-dimethyl-

CAS No.:

166978-48-9

Catalog Number:

AG001X29

Molecular Formula:

C14H14O

Molecular Weight:

198.2604

Catalog Number:

AG001X29

Chemical Name:

1(2H)-Naphthalenone, 7-ethynyl-3,4-dihydro-4,4-dimethyl-

CAS Number:

166978-48-9

Molecular Formula:

C14H14O

Molecular Weight:

198.2604

MDL Number:

MFCD16293825

IUPAC Name:

7-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one

InChI:

InChI=1S/C14H14O/c1-4-10-5-6-12-11(9-10)13(15)7-8-14(12,2)3/h1,5-6,9H,7-8H2,2-3H3

InChI Key:

FSENXSHCDBCKEZ-UHFFFAOYSA-N

SMILES:

C#Cc1ccc2c(c1)C(=O)CCC2(C)C

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.265g/mol

Monoisotopic Mass:

198.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1