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88070-97-7 | 2H-Pyran-2-one, tetrahydro-6-(iodomethylene)-3-phenyl-, (E)-
CAS No: 88070-97-7 Catalog No: AG004KKS MDL No:
Product Description
Catalog Number:
AG004KKS
Chemical Name:
2H-Pyran-2-one, tetrahydro-6-(iodomethylene)-3-phenyl-, (E)-
CAS Number:
88070-97-7
Molecular Formula:
C12H11IO2
Molecular Weight:
314.1190
IUPAC Name:
6-(iodomethylidene)-3-phenyloxan-2-one
InChI:
InChI=1S/C12H11IO2/c13-8-10-6-7-11(12(14)15-10)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChI Key:
HRKFNKGBITXPSI-UHFFFAOYSA-N
SMILES:
I/C=C/1\CCC(C(=O)O1)c1ccccc1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.98g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.122g/mol
Monoisotopic Mass:
313.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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