Name: Name:Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methoxy-2-oxo-
Brand: Angene
SKU: AG0057TR
Rating: 90 (10 reviews)

Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methoxy-2-oxo-

CAS No.:

81687-89-0

Catalog Number:

AG0057TR

Molecular Formula:

C10H14O4

Molecular Weight:

198.2158

Catalog Number:

AG0057TR

Chemical Name:

Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methoxy-2-oxo-

CAS Number:

81687-89-0

Molecular Formula:

C10H14O4

Molecular Weight:

198.2158

MDL Number:

MFCD20644709

IUPAC Name:

4-methoxy-2-oxobicyclo[2.2.2]octane-1-carboxylic acid

InChI:

InChI=1S/C10H14O4/c1-14-9-2-4-10(5-3-9,8(12)13)7(11)6-9/h2-6H2,1H3,(H,12,13)

InChI Key:

PPMABBAXEJXFKM-UHFFFAOYSA-N

SMILES:

COC12CCC(CC1)(C(=O)C2)C(=O)O

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.218g/mol

Monoisotopic Mass:

198.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8