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101960-96-7 | 4H-Pyran-4-one, 2,6-dimethyl-3-octyl-
CAS No: 101960-96-7 Catalog No: AG00062Z MDL No:
Product Description
Catalog Number:
AG00062Z
Chemical Name:
4H-Pyran-4-one, 2,6-dimethyl-3-octyl-
CAS Number:
101960-96-7
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
2,6-dimethyl-3-octylpyran-4-one
InChI:
InChI=1S/C15H24O2/c1-4-5-6-7-8-9-10-14-13(3)17-12(2)11-15(14)16/h11H,4-10H2,1-3H3
InChI Key:
RDRDVYRETDXEHY-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1c(C)oc(cc1=O)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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