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Home > Fluorides > 873316-13-3
873316-13-3 | 2H-Pyran-2-one, 6-[(1E)-2-(4-fluorophenyl)ethenyl]-5,6-dihydro-, (6S)-
CAS No: 873316-13-3 Catalog No: AG004L1R MDL No:
Product Description
Catalog Number:
AG004L1R
Chemical Name:
2H-Pyran-2-one, 6-[(1E)-2-(4-fluorophenyl)ethenyl]-5,6-dihydro-, (6S)-
CAS Number:
873316-13-3
Molecular Formula:
C13H11FO2
Molecular Weight:
218.2236
IUPAC Name:
(2S)-2-[2-(4-fluorophenyl)ethenyl]-2,3-dihydropyran-6-one
InChI:
InChI=1S/C13H11FO2/c14-11-7-4-10(5-8-11)6-9-12-2-1-3-13(15)16-12/h1,3-9,12H,2H2/t12-/m0/s1
InChI Key:
NDEKIBDLMYKCQU-LBPRGKRZSA-N
SMILES:
O=C1C=CC[C@H](O1)/C=C/c1ccc(cc1)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.227g/mol
Monoisotopic Mass:
218.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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