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114245-61-3 | 4-Hepten-3-one, 2,2-dimethyl-6-phenyl-, (4E)-
CAS No: 114245-61-3 Catalog No: AG000AWT MDL No:
Product Description
Catalog Number:
AG000AWT
Chemical Name:
4-Hepten-3-one, 2,2-dimethyl-6-phenyl-, (4E)-
CAS Number:
114245-61-3
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
2,2-dimethyl-6-phenylhept-4-en-3-one
InChI:
InChI=1S/C15H20O/c1-12(13-8-6-5-7-9-13)10-11-14(16)15(2,3)4/h5-12H,1-4H3
InChI Key:
QONLUZKARIRCDL-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)/C=C/C(=O)C(C)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.151g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.324g/mol
Monoisotopic Mass:
216.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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