Name: Name:methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate
Brand: Angene
SKU: AG01A4OA
Rating: 90 (10 reviews)

methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

CAS No.:

74821-55-9

Catalog Number:

AG01A4OA

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

Catalog Number:

AG01A4OA

Chemical Name:

methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylate

CAS Number:

74821-55-9

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

MDL Number:

MFCD23743203

IUPAC Name:

methyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate

InChI:

InChI=1S/C13H14O3/c1-16-13(15)11-8-4-6-9-5-2-3-7-10(9)12(11)14/h2-3,5,7,11H,4,6,8H2,1H3

InChI Key:

JDXIXQIVFXMNGR-UHFFFAOYSA-N

SMILES:

COC(=O)C1CCCc2c(C1=O)cccc2

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.252g/mol

Monoisotopic Mass:

218.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7