3-Cyclopentapyrazolecarbonitrile, 1,4,5,6-tetrahydro-


Chemical Name: 3-Cyclopentapyrazolecarbonitrile, 1,4,5,6-tetrahydro-
CAS Number: 851776-29-9
Product Number: AG00G86E(AGN-PC-03ZLOG)
Synonyms:
MDL No:
Molecular Formula: C7H7N3
Molecular Weight: 133.1506

Identification/Properties


Computed Properties
Molecular Weight:
133.154g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
133.064g/mol
Monoisotopic Mass:
133.064g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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