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1006518-87-1 | 1H-Pyrazole-1-propanenitrile, 4-formyl-
CAS No: 1006518-87-1 Catalog No: AG0002KI MDL No:
Product Description
Catalog Number:
AG0002KI
Chemical Name:
1H-Pyrazole-1-propanenitrile, 4-formyl-
CAS Number:
1006518-87-1
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
IUPAC Name:
3-(4-formylpyrazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H7N3O/c8-2-1-3-10-5-7(6-11)4-9-10/h4-6H,1,3H2
InChI Key:
JKAVMKREHIBQFA-UHFFFAOYSA-N
SMILES:
C(n1cc(cn1)C=O)CC#N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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