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18357-35-2 | 4H-Pyran-4-one, 2,6-bis(4-methylphenyl)-
CAS No: 18357-35-2 Catalog No: AG0027P7 MDL No:
Product Description
Catalog Number:
AG0027P7
Chemical Name:
4H-Pyran-4-one, 2,6-bis(4-methylphenyl)-
CAS Number:
18357-35-2
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
2,6-bis(4-methylphenyl)pyran-4-one
InChI:
InChI=1S/C19H16O2/c1-13-3-7-15(8-4-13)18-11-17(20)12-19(21-18)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChI Key:
MFNGJZJAIMYXNF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1oc(cc(=O)c1)c1ccc(cc1)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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