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74771-40-7 | 1H-Pyrazole, 1-methyl-5-(2-phenylethenyl)-
CAS No: 74771-40-7 Catalog No: AG005HA6 MDL No:
Product Description
Catalog Number:
AG005HA6
Chemical Name:
1H-Pyrazole, 1-methyl-5-(2-phenylethenyl)-
CAS Number:
74771-40-7
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
1-methyl-5-(2-phenylethenyl)pyrazole
InChI:
InChI=1S/C12H12N2/c1-14-12(9-10-13-14)8-7-11-5-3-2-4-6-11/h2-10H,1H3
InChI Key:
AKWFQHRZPGKCGH-UHFFFAOYSA-N
SMILES:
Cn1nccc1C=Cc1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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