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101894-03-5 | 4H-Pyran-4-one, 3,5-bis(phenylmethyl)-
CAS No: 101894-03-5 Catalog No: AG0005UH MDL No:
Product Description
Catalog Number:
AG0005UH
Chemical Name:
4H-Pyran-4-one, 3,5-bis(phenylmethyl)-
CAS Number:
101894-03-5
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
3,5-dibenzylpyran-4-one
InChI:
InChI=1S/C19H16O2/c20-19-17(11-15-7-3-1-4-8-15)13-21-14-18(19)12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChI Key:
WPSJAGAKONPYBM-UHFFFAOYSA-N
SMILES:
O=c1c(cocc1Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
383
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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