Name: Name:5-(1,3-benzodioxol-5-yl)-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG00JEN6
Rating: 90 (10 reviews)

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

CAS No.:

1093642-04-6

Catalog Number:

AG00JEN6

Molecular Formula:

C11H8N2O4

Molecular Weight:

232.1922

Catalog Number:

AG00JEN6

Chemical Name:

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

CAS Number:

1093642-04-6

Molecular Formula:

C11H8N2O4

Molecular Weight:

232.1922

MDL Number:

MFCD04969779

IUPAC Name:

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

InChI:

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

InChI Key:

LMXODXZANYFXPY-UHFFFAOYSA-N

SMILES:

OC(=O)c1n[nH]c(c1)c1ccc2c(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:

1.6