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1141-54-4 | 2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (6R)-
CAS No: 1141-54-4 Catalog No: AG000AL8 MDL No:
Product Description
Catalog Number:
AG000AL8
Chemical Name:
2-Hepten-4-one, 2-methyl-6-(4-methylphenyl)-, (6R)-
CAS Number:
1141-54-4
Molecular Formula:
C15H20O
Molecular Weight:
216.3187
IUPAC Name:
(6R)-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
InChI:
InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m1/s1
InChI Key:
NAAJVHHFAXWBOK-CYBMUJFWSA-N
SMILES:
CC(=CC(=O)C[C@H](c1ccc(cc1)C)C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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