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88773-28-8 | 4H-Pyran-4-one, 5-(benzoyloxy)-2,3-dihydro-2-methyl-, (R)-
CAS No: 88773-28-8 Catalog No: AG004CZR MDL No:
Product Description
Catalog Number:
AG004CZR
Chemical Name:
4H-Pyran-4-one, 5-(benzoyloxy)-2,3-dihydro-2-methyl-, (R)-
CAS Number:
88773-28-8
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
(2-methyl-4-oxo-2,3-dihydropyran-5-yl) benzoate
InChI:
InChI=1S/C13H12O4/c1-9-7-11(14)12(8-16-9)17-13(15)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChI Key:
STRWQIDCXWAKJN-UHFFFAOYSA-N
SMILES:
C[C@H]1OC=C(C(=O)C1)OC(=O)c1ccccc1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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