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28998-67-6 | 1H-Pyrazole, 3-butyl-
CAS No: 28998-67-6 Catalog No: AG002V5Q MDL No:MFCD01693644
Product Description
Catalog Number:
AG002V5Q
Chemical Name:
1H-Pyrazole, 3-butyl-
CAS Number:
28998-67-6
Molecular Formula:
C7H12N2
Molecular Weight:
124.1836
MDL Number:
MFCD01693644
IUPAC Name:
5-butyl-1H-pyrazole
InChI:
InChI=1S/C7H12N2/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3,(H,8,9)
InChI Key:
GFJCGXFXOXSUJX-UHFFFAOYSA-N
SMILES:
CCCCc1cc[nH]n1
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.187g/mol
Monoisotopic Mass:
124.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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