Name: Name:3a(1H)-Pentalenecarboxylic acid, hexahydro-2-oxo-, ethyl ester
Brand: Angene
SKU: AG00224B
Rating: 90 (10 reviews)

3a(1H)-Pentalenecarboxylic acid, hexahydro-2-oxo-, ethyl ester

CAS No.:

180573-21-1

Catalog Number:

AG00224B

Molecular Formula:

C11H16O3

Molecular Weight:

196.2429

Catalog Number:

AG00224B

Chemical Name:

3a(1H)-Pentalenecarboxylic acid, hexahydro-2-oxo-, ethyl ester

CAS Number:

180573-21-1

Molecular Formula:

C11H16O3

Molecular Weight:

196.2429

MDL Number:

MFCD18643325

IUPAC Name:

ethyl 5-oxo-1,2,3,4,6,6a-hexahydropentalene-3a-carboxylate

InChI:

InChI=1S/C11H16O3/c1-2-14-10(13)11-5-3-4-8(11)6-9(12)7-11/h8H,2-7H2,1H3

InChI Key:

HMRSZXZQFBSDSO-UHFFFAOYSA-N

SMILES:

CCOC(=O)C12CCCC2CC(=O)C1

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.11g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.246g/mol

Monoisotopic Mass:

196.11g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2