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1431966-04-9 | 3-(1H-pyrazol-4-yl)propanenitrile hydrochloride
CAS No: 1431966-04-9 Catalog No: AG01FJHE MDL No:
Product Description
Catalog Number:
AG01FJHE
Chemical Name:
3-(1H-pyrazol-4-yl)propanenitrile hydrochloride
CAS Number:
1431966-04-9
Molecular Formula:
C6H8ClN3
Molecular Weight:
157.6008
IUPAC Name:
3-(1H-pyrazol-4-yl)propanenitrile;hydrochloride
InChI:
InChI=1S/C6H7N3.ClH/c7-3-1-2-6-4-8-9-5-6;/h4-5H,1-2H2,(H,8,9);1H
InChI Key:
YCURSMUARDYSKR-UHFFFAOYSA-N
SMILES:
N#CCCc1c[nH]nc1.Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.601g/mol
Monoisotopic Mass:
157.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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