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15779-79-0 | 3H-Pyrazole, 3-ethenyl-4,5-dihydro-
CAS No: 15779-79-0 Catalog No: AG001PPA MDL No:
Product Description
Catalog Number:
AG001PPA
Chemical Name:
3H-Pyrazole, 3-ethenyl-4,5-dihydro-
CAS Number:
15779-79-0
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
IUPAC Name:
3-ethenyl-4,5-dihydro-3H-pyrazole
InChI:
InChI=1S/C5H8N2/c1-2-5-3-4-6-7-5/h2,5H,1,3-4H2
InChI Key:
CDXTZRWTZNBCJE-UHFFFAOYSA-N
SMILES:
C=CC1CCN=N1
Properties
Complexity:
96.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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