Name: Name:7,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one
Brand: Angene
SKU: AG01BHNE
Rating: 90 (10 reviews)

7,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

CAS No.:

53755-66-1

Catalog Number:

AG01BHNE

Molecular Formula:

C13H16O

Molecular Weight:

188.2655

Catalog Number:

AG01BHNE

Chemical Name:

7,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-one

CAS Number:

53755-66-1

Molecular Formula:

C13H16O

Molecular Weight:

188.2655

MDL Number:

MFCD00183498

IUPAC Name:

7,7-dimethyl-8,9-dihydro-6H-benzo[7]annulen-5-one

InChI:

InChI=1S/C13H16O/c1-13(2)8-7-10-5-3-4-6-11(10)12(14)9-13/h3-6H,7-9H2,1-2H3

InChI Key:

YVIJOJBBDLPUBE-UHFFFAOYSA-N

SMILES:

O=C1CC(C)(C)CCc2c1cccc2

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.27g/mol

Monoisotopic Mass:

188.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4