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75207-34-0 | 2-Heptanone, 6-(4-methylphenyl)-
CAS No: 75207-34-0 Catalog No: AG005CVP MDL No:
Product Description
Catalog Number:
AG005CVP
Chemical Name:
2-Heptanone, 6-(4-methylphenyl)-
CAS Number:
75207-34-0
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
6-(4-methylphenyl)heptan-2-one
InChI:
InChI=1S/C14H20O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h7-10,12H,4-6H2,1-3H3
InChI Key:
URMNPIAGMIVNMU-UHFFFAOYSA-N
SMILES:
CC(=O)CCCC(c1ccc(cc1)C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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