Name: Name:3-(2H-1,3-benzodioxole-5-amido)thiophene-2-carboxylic acid
Brand: Angene
SKU: AG019X34
Rating: 90 (10 reviews)

3-(2H-1,3-benzodioxole-5-amido)thiophene-2-carboxylic acid

CAS No.:

926192-73-6

Catalog Number:

AG019X34

Molecular Formula:

C13H9NO5S

Molecular Weight:

291.2793

Catalog Number:

AG019X34

Chemical Name:

3-(2H-1,3-benzodioxole-5-amido)thiophene-2-carboxylic acid

CAS Number:

926192-73-6

Molecular Formula:

C13H9NO5S

Molecular Weight:

291.2793

MDL Number:

MFCD09050421

IUPAC Name:

3-(1,3-benzodioxole-5-carbonylamino)thiophene-2-carboxylic acid

InChI:

InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17)

InChI Key:

HVMRZQRPAGGWIV-UHFFFAOYSA-N

SMILES:

O=C(c1ccc2c(c1)OCO2)Nc1ccsc1C(=O)O

Complexity:

404

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.277g/mol

Monoisotopic Mass:

291.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7