Name: Name:2-(4-oxo-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)acetic acid
Brand: Angene
SKU: AG01BIH7
Rating: 90 (10 reviews)

2-(4-oxo-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)acetic acid

CAS No.:

107866-80-8

Catalog Number:

AG01BIH7

Molecular Formula:

C10H10O3S

Molecular Weight:

210.2496

Catalog Number:

AG01BIH7

Chemical Name:

2-(4-oxo-4,5,6,7-tetrahydro-1-benzothiophen-5-yl)acetic acid

CAS Number:

107866-80-8

Molecular Formula:

C10H10O3S

Molecular Weight:

210.2496

MDL Number:

MFCD24479945

IUPAC Name:

2-(4-oxo-6,7-dihydro-5H-1-benzothiophen-5-yl)acetic acid

InChI:

InChI=1S/C10H10O3S/c11-9(12)5-6-1-2-8-7(10(6)13)3-4-14-8/h3-4,6H,1-2,5H2,(H,11,12)

InChI Key:

SAOLNPJPCPAMSO-UHFFFAOYSA-N

SMILES:

OC(=O)CC1CCc2c(C1=O)ccs2

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.247g/mol

Monoisotopic Mass:

210.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3