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100114-57-6 | 1H-Pyrazole, 3-cyclopropyl-
CAS No: 100114-57-6 Catalog No: AG000106 MDL No:MFCD04970938
Product Description
Catalog Number:
AG000106
Chemical Name:
1H-Pyrazole, 3-cyclopropyl-
CAS Number:
100114-57-6
Molecular Formula:
C6H8N2
Molecular Weight:
108.1411
MDL Number:
MFCD04970938
IUPAC Name:
5-cyclopropyl-1H-pyrazole
InChI:
InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
InChI Key:
TXWDVWSJMDFNQY-UHFFFAOYSA-N
SMILES:
C1CC1c1cc[nH]n1
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.144g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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