Name: Name:4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
Brand: Angene
SKU: AG01A1EH
Rating: 90 (10 reviews)

4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid

CAS No.:

339056-48-3

Catalog Number:

AG01A1EH

Molecular Formula:

C9H10O2S

Molecular Weight:

182.2395

Catalog Number:

AG01A1EH

Chemical Name:

4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid

CAS Number:

339056-48-3

Molecular Formula:

C9H10O2S

Molecular Weight:

182.2395

MDL Number:

MFCD13192824

IUPAC Name:

4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid

InChI:

InChI=1S/C9H10O2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h4-5,7H,1-3H2,(H,10,11)

InChI Key:

XGGAZRNXSISDNN-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCc2c1ccs2

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.237g/mol

Monoisotopic Mass:

182.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9