Name: Name:3-Cyclohexene-1-carboxylic acid, 6-(2-benzothiazolyl)-
Brand: Angene
SKU: AG00J9ZA
Rating: 90 (10 reviews)

3-Cyclohexene-1-carboxylic acid, 6-(2-benzothiazolyl)-

CAS No.:

501916-81-0

Catalog Number:

AG00J9ZA

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

Catalog Number:

AG00J9ZA

Chemical Name:

3-Cyclohexene-1-carboxylic acid, 6-(2-benzothiazolyl)-

CAS Number:

501916-81-0

Molecular Formula:

C14H13NO2S

Molecular Weight:

259.3235

MDL Number:

MFCD02947153

IUPAC Name:

6-(1,3-benzothiazol-2-yl)cyclohex-3-ene-1-carboxylic acid

InChI:

InChI=1S/C14H13NO2S/c16-14(17)10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)18-13/h1-4,7-10H,5-6H2,(H,16,17)

InChI Key:

WWZWHMKDOILESF-UHFFFAOYSA-N

SMILES:

OC(=O)C1CC=CCC1c1nc2c(s1)cccc2

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.323g/mol

Monoisotopic Mass:

259.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2