Name: Name:5,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
Brand: Angene
SKU: AG019TSC
Rating: 90 (10 reviews)

5,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

CAS No.:

1339526-12-3

Catalog Number:

AG019TSC

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

Catalog Number:

AG019TSC

Chemical Name:

5,5-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid

CAS Number:

1339526-12-3

Molecular Formula:

C11H14O2S

Molecular Weight:

210.2927

MDL Number:

MFCD20319697

IUPAC Name:

5,5-dimethyl-6,7-dihydro-4H-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C11H14O2S/c1-11(2)4-3-8-7(6-11)5-9(14-8)10(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)

InChI Key:

YEOUUQQDPYRPGP-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2c(s1)CCC(C2)(C)C

Complexity:

250

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:

3.3