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87532-11-4 | 2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-
CAS No: 87532-11-4 Catalog No: AG004F67 MDL No:
Product Description
Catalog Number:
AG004F67
Chemical Name:
2H-Pyran-2-one, 3-(benzoyloxy)tetrahydro-
CAS Number:
87532-11-4
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
(2-oxooxan-3-yl) benzoate
InChI:
InChI=1S/C12H12O4/c13-11(9-5-2-1-3-6-9)16-10-7-4-8-15-12(10)14/h1-3,5-6,10H,4,7-8H2
InChI Key:
AHMIQXMNMGNIAT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OC1CCCOC1=O
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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