Name: Name:5-cyano-3-methyl-1-benzothiophene-2-carboxylic acid
Brand: Angene
SKU: AG01ADA2
Rating: 90 (10 reviews)

5-cyano-3-methyl-1-benzothiophene-2-carboxylic acid

CAS No.:

1803600-86-3

Catalog Number:

AG01ADA2

Molecular Formula:

C11H7NO2S

Molecular Weight:

217.2438

Catalog Number:

AG01ADA2

Chemical Name:

5-cyano-3-methyl-1-benzothiophene-2-carboxylic acid

CAS Number:

1803600-86-3

Molecular Formula:

C11H7NO2S

Molecular Weight:

217.2438

MDL Number:

MFCD22490513

IUPAC Name:

5-cyano-3-methyl-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C11H7NO2S/c1-6-8-4-7(5-12)2-3-9(8)15-10(6)11(13)14/h2-4H,1H3,(H,13,14)

InChI Key:

WYYMYFFWCHQAFQ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc2c(c1)c(C)c(s2)C(=O)O

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

217.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

217.242g/mol

Monoisotopic Mass:

217.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9