Name: Name:rac-(3aR,8aS)-hexahydro-1H-cyclohepta[c]furan-1,3(3aH)-dione, cis
Brand: Angene
SKU: AG01EAAS
Rating: 90 (10 reviews)

rac-(3aR,8aS)-hexahydro-1H-cyclohepta[c]furan-1,3(3aH)-dione, cis

CAS No.:

35878-29-6

Catalog Number:

AG01EAAS

Molecular Formula:

C9H12O3

Molecular Weight:

168.1898

Catalog Number:

AG01EAAS

Chemical Name:

rac-(3aR,8aS)-hexahydro-1H-cyclohepta[c]furan-1,3(3aH)-dione, cis

CAS Number:

35878-29-6

Molecular Formula:

C9H12O3

Molecular Weight:

168.1898

MDL Number:

MFCD09867630

IUPAC Name:

(3aS,8aR)-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[c]furan-1,3-dione

InChI:

InChI=1S/C9H12O3/c10-8-6-4-2-1-3-5-7(6)9(11)12-8/h6-7H,1-5H2/t6-,7+

InChI Key:

SDVIYPBSYKHGTP-KNVOCYPGSA-N

SMILES:

O=C1OC(=O)[C@@H]2[C@H]1CCCCC2

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.192g/mol

Monoisotopic Mass:

168.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7