Name: Name:1-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-6-ONE
Brand: Angene
SKU: AG01E0TA
Rating: 90 (10 reviews)

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

CAS No.:

76413-99-5

Catalog Number:

AG01E0TA

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

Catalog Number:

AG01E0TA

Chemical Name:

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

CAS Number:

76413-99-5

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

MDL Number:

MFCD00667622

IUPAC Name:

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

InChI:

InChI=1S/C12H14O2/c1-14-12-7-2-4-9-8-10(13)5-3-6-11(9)12/h2,4,7H,3,5-6,8H2,1H3

InChI Key:

JTIWLNBWWLQXCC-UHFFFAOYSA-N

SMILES:

COc1cccc2c1CCCC(=O)C2

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