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89243-86-7 | 2H-Pyran-2-one, 6-(diphenylphosphinyl)-3,4-dihydro-4,4-dimethyl-
CAS No: 89243-86-7 Catalog No: AG0042J2 MDL No:
Product Description
Catalog Number:
AG0042J2
Chemical Name:
2H-Pyran-2-one, 6-(diphenylphosphinyl)-3,4-dihydro-4,4-dimethyl-
CAS Number:
89243-86-7
Molecular Formula:
C19H19O3P
Molecular Weight:
326.3261
IUPAC Name:
6-diphenylphosphoryl-4,4-dimethyl-3H-pyran-2-one
InChI:
InChI=1S/C19H19O3P/c1-19(2)13-17(20)22-18(14-19)23(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChI Key:
KHSMMNASFXYXHA-UHFFFAOYSA-N
SMILES:
O=C1OC(=CC(C1)(C)C)P(=O)(c1ccccc1)c1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.332g/mol
Monoisotopic Mass:
326.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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