Name: Name:4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLIC ACID
Brand: Angene
SKU: AG01DTAT
Rating: 90 (10 reviews)

4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLIC ACID

CAS No.:

898391-69-0

Catalog Number:

AG01DTAT

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

Catalog Number:

AG01DTAT

Chemical Name:

4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXYLIC ACID

CAS Number:

898391-69-0

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

MDL Number:

MFCD05157736

IUPAC Name:

4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid

InChI:

InChI=1S/C11H14O2S/c12-11(13)9-7-14-10-6-4-2-1-3-5-8(9)10/h7H,1-6H2,(H,12,13)

InChI Key:

QIGYQCPBQLYULG-UHFFFAOYSA-N

SMILES:

OC(=O)c1csc2c1CCCCCC2

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.071g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.291g/mol

Monoisotopic Mass:

210.071g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4