Name: Name:3-(4-formyl-3-phenyl-1H-pyrazol-1-yl)propanenitrile
Brand: Angene
SKU: AG019IYA
Rating: 90 (10 reviews)

3-(4-formyl-3-phenyl-1H-pyrazol-1-yl)propanenitrile

CAS No.:

255710-82-8

Catalog Number:

AG019IYA

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

Catalog Number:

AG019IYA

Chemical Name:

3-(4-formyl-3-phenyl-1H-pyrazol-1-yl)propanenitrile

CAS Number:

255710-82-8

Molecular Formula:

C13H11N3O

Molecular Weight:

225.2459

MDL Number:

MFCD02705838

IUPAC Name:

3-(4-formyl-3-phenylpyrazol-1-yl)propanenitrile

InChI:

InChI=1S/C13H11N3O/c14-7-4-8-16-9-12(10-17)13(15-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,8H2

InChI Key:

AFTHLJYQIOKCFD-UHFFFAOYSA-N

SMILES:

N#CCCn1cc(c(n1)c1ccccc1)C=O

Complexity:

303

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.251g/mol

Monoisotopic Mass:

225.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: