Name: Name:6,7,8,9-Tetrahydro-5H-benzocycloheptene-7-carboxylic acid
Brand: Angene
SKU: AG009VGD
Rating: 90 (10 reviews)

6,7,8,9-Tetrahydro-5H-benzocycloheptene-7-carboxylic acid

CAS No.:

1400229-72-2

Catalog Number:

AG009VGD

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

Catalog Number:

AG009VGD

Chemical Name:

6,7,8,9-Tetrahydro-5H-benzocycloheptene-7-carboxylic acid

CAS Number:

1400229-72-2

Molecular Formula:

C12H14O2

Molecular Weight:

190.2384

MDL Number:

MFCD22689186

IUPAC Name:

6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxylic acid

InChI:

InChI=1S/C12H14O2/c13-12(14)11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4,11H,5-8H2,(H,13,14)

InChI Key:

FGVCREOLYLRJCU-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCc2c(CC1)cccc2

Complexity:

196

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:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5