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116142-85-9 | 2H-Pyran-4-ol, 3,4-dihydro-2-(2-phenylethenyl)-, 4-acetate, (2R,4R)-
CAS No: 116142-85-9 Catalog No: AG000BR4 MDL No:
Product Description
Catalog Number:
AG000BR4
Chemical Name:
2H-Pyran-4-ol, 3,4-dihydro-2-(2-phenylethenyl)-, 4-acetate, (2R,4R)-
CAS Number:
116142-85-9
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
acetic acid;2-(2-phenylethenyl)-3,4-dihydro-2H-pyran-4-ol
InChI:
InChI=1S/C13H14O2.C2H4O2/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11;1-2(3)4/h1-9,12-14H,10H2;1H3,(H,3,4)
InChI Key:
RKOKXKAFUCGOSH-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@H]1C=CO[C@H](C1)C=Cc1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
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