Name: Name:3-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG00J54M
Rating: 90 (10 reviews)

3-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1152543-46-8

Catalog Number:

AG00J54M

Molecular Formula:

C11H8N2O4

Molecular Weight:

232.1922

Catalog Number:

AG00J54M

Chemical Name:

3-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1152543-46-8

Molecular Formula:

C11H8N2O4

Molecular Weight:

232.1922

MDL Number:

MFCD19706894

IUPAC Name:

5-(1,3-benzodioxol-5-yl)-1H-pyrazole-4-carboxylic acid

InChI:

InChI=1S/C11H8N2O4/c14-11(15)7-4-12-13-10(7)6-1-2-8-9(3-6)17-5-16-8/h1-4H,5H2,(H,12,13)(H,14,15)

InChI Key:

ZQNQBILYGVUVMN-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]nc1c1ccc2c(c1)OCO2

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.195g/mol

Monoisotopic Mass:

232.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2