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83448-58-2 | 4-Heptanone, 2-methyl-6-(4-methyl-1,4-cyclohexadien-1-yl)-
CAS No: 83448-58-2 Catalog No: AG004ROM MDL No:
Product Description
Catalog Number:
AG004ROM
Chemical Name:
4-Heptanone, 2-methyl-6-(4-methyl-1,4-cyclohexadien-1-yl)-
CAS Number:
83448-58-2
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)heptan-4-one
InChI:
InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8,11,13H,6-7,9-10H2,1-4H3
InChI Key:
FRFQUSZMLRIVJP-UHFFFAOYSA-N
SMILES:
CC(CC(=O)CC(C1=CCC(=CC1)C)C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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