Name: Name:3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE
Brand: Angene
SKU: AG01E2SB
Rating: 90 (10 reviews)

3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE

CAS No.:

91495-63-5

Catalog Number:

AG01E2SB

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

Catalog Number:

AG01E2SB

Chemical Name:

3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE

CAS Number:

91495-63-5

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

MDL Number:

MFCD15527451

IUPAC Name:

3-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

InChI:

InChI=1S/C12H14O2/c1-14-12-6-5-9-3-2-4-11(13)7-10(9)8-12/h5-6,8H,2-4,7H2,1H3

InChI Key:

ZWBQKDCWKNWSRU-UHFFFAOYSA-N

SMILES:

COc1ccc2c(c1)CC(=O)CCC2

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.242g/mol

Monoisotopic Mass:

190.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9