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83378-98-7 | 4H-Pyran-4-one, 2,3-dihydro-3,5-dimethyl-2-phenyl-, cis-
CAS No: 83378-98-7 Catalog No: AG004VQ5 MDL No:
Product Description
Catalog Number:
AG004VQ5
Chemical Name:
4H-Pyran-4-one, 2,3-dihydro-3,5-dimethyl-2-phenyl-, cis-
CAS Number:
83378-98-7
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
(2R,3R)-3,5-dimethyl-2-phenyl-2,3-dihydropyran-4-one
InChI:
InChI=1S/C13H14O2/c1-9-8-15-13(10(2)12(9)14)11-6-4-3-5-7-11/h3-8,10,13H,1-2H3/t10-,13+/m0/s1
InChI Key:
FHQSXHVXYDHRPI-GXFFZTMASA-N
SMILES:
C[C@H]1C(=O)C(=CO[C@H]1c1ccccc1)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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