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79174-30-4 | 1-Penten-3-one, 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 79174-30-4 Catalog No: AG005LM9 MDL No:
Product Description
Catalog Number:
AG005LM9
Chemical Name:
1-Penten-3-one, 4,4-dimethyl-1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
79174-30-4
Molecular Formula:
C15H17N3O
Molecular Weight:
255.3150
IUPAC Name:
4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
InChI:
InChI=1S/C15H17N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h4-11H,1-3H3
InChI Key:
QIYHEADMPPZNJY-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)C(=Cc1ccccc1)n1cncn1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.321g/mol
Monoisotopic Mass:
255.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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