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65504-93-0 | 1-PHENYL-3(OR 5)-PROPYLPYRAZOLE
CAS No: 65504-93-0 Catalog No: AG003EM4 MDL No:
Product Description
Catalog Number:
AG003EM4
Chemical Name:
1-PHENYL-3(OR 5)-PROPYLPYRAZOLE
CAS Number:
65504-93-0
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
1-phenyl-3-propylpyrazole
InChI:
InChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
InChI Key:
ZHVUSSKUCZSPFQ-UHFFFAOYSA-N
SMILES:
CCCc1ccn(n1)c1ccccc1
UNII:
5647U70O2D
FEMA Number:
3727
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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