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288-12-0 | 3H-Pyrazole
CAS No: 288-12-0 Catalog No: AG002WJI MDL No:
Product Description
Catalog Number:
AG002WJI
Chemical Name:
3H-Pyrazole
CAS Number:
288-12-0
Molecular Formula:
C3H4N2
Molecular Weight:
68.0773
IUPAC Name:
3H-pyrazole
InChI:
InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-2H,3H2
InChI Key:
DEEPVUMBLJVOEL-UHFFFAOYSA-N
SMILES:
C1C=CN=N1
Properties
Complexity:
73
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
68.037g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
68.079g/mol
Monoisotopic Mass:
68.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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