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820209-07-2 | 2H-Pyran-2-one, 4-(4-chlorophenyl)-3,4-dihydro-3,3-dimethyl-6-phenyl-
CAS No: 820209-07-2 Catalog No: AG005E5E MDL No:
Product Description
Catalog Number:
AG005E5E
Chemical Name:
2H-Pyran-2-one, 4-(4-chlorophenyl)-3,4-dihydro-3,3-dimethyl-6-phenyl-
CAS Number:
820209-07-2
Molecular Formula:
C19H17ClO2
Molecular Weight:
312.7901
IUPAC Name:
4-(4-chlorophenyl)-3,3-dimethyl-6-phenyl-4H-pyran-2-one
InChI:
InChI=1S/C19H17ClO2/c1-19(2)16(13-8-10-15(20)11-9-13)12-17(22-18(19)21)14-6-4-3-5-7-14/h3-12,16H,1-2H3
InChI Key:
MDJJAYHOPXBXPJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1C=C(OC(=O)C1(C)C)c1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.092g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.793g/mol
Monoisotopic Mass:
312.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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