Name: Name:3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde
Brand: Angene
SKU: AG00HADR
Rating: 90 (10 reviews)

3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde

CAS No.:

1046461-90-8

Catalog Number:

AG00HADR

Molecular Formula:

C11H8N2O3

Molecular Weight:

216.1928

Catalog Number:

AG00HADR

Chemical Name:

3-(2H-1,3-benzodioxol-5-yl)-1H-pyrazole-4-carbaldehyde

CAS Number:

1046461-90-8

Molecular Formula:

C11H8N2O3

Molecular Weight:

216.1928

IUPAC Name:

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

InChI:

InChI=1S/C11H8N2O3/c14-5-8-4-12-13-11(8)7-1-2-9-10(3-7)16-6-15-9/h1-5H,6H2,(H,12,13)

InChI Key:

KNGSJLHOXNAMTI-UHFFFAOYSA-N

SMILES:

O=Cc1c[nH]nc1c1ccc2c(c1)OCO2

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.196g/mol

Monoisotopic Mass:

216.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2