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88083-99-2 | 4H-Pyran-4-one, tetrahydro-2-(2-methoxyphenyl)-6-methyl-, cis-
CAS No: 88083-99-2 Catalog No: AG004K12 MDL No:
Product Description
Catalog Number:
AG004K12
Chemical Name:
4H-Pyran-4-one, tetrahydro-2-(2-methoxyphenyl)-6-methyl-, cis-
CAS Number:
88083-99-2
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
(2R,6R)-2-(2-methoxyphenyl)-6-methyloxan-4-one
InChI:
InChI=1S/C13H16O3/c1-9-7-10(14)8-13(16-9)11-5-3-4-6-12(11)15-2/h3-6,9,13H,7-8H2,1-2H3/t9-,13-/m1/s1
InChI Key:
PFRANMBTNGBJQI-NOZJJQNGSA-N
SMILES:
COc1ccccc1[C@H]1CC(=O)C[C@H](O1)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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