Name: Name:5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid
Brand: Angene
SKU: AG01BHIJ
Rating: 90 (10 reviews)

5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid

CAS No.:

3470-47-1

Catalog Number:

AG01BHIJ

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

Catalog Number:

AG01BHIJ

Chemical Name:

5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid

CAS Number:

3470-47-1

Molecular Formula:

C12H12O3

Molecular Weight:

204.2219

MDL Number:

MFCD24482828

IUPAC Name:

5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylic acid

InChI:

InChI=1S/C12H12O3/c13-11-4-2-1-3-8-7-9(12(14)15)5-6-10(8)11/h5-7H,1-4H2,(H,14,15)

InChI Key:

CXWHJKOHPCWJNT-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)CCCCC2=O

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.225g/mol

Monoisotopic Mass:

204.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1