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192451-60-8 | 3(2H)-Furanone, 2-(acetyloxy)-2-methyl-4-phenyl-
CAS No: 192451-60-8 Catalog No: AG002FZ5 MDL No:
Product Description
Catalog Number:
AG002FZ5
Chemical Name:
3(2H)-Furanone, 2-(acetyloxy)-2-methyl-4-phenyl-
CAS Number:
192451-60-8
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
(2-methyl-3-oxo-4-phenylfuran-2-yl) acetate
InChI:
InChI=1S/C13H12O4/c1-9(14)17-13(2)12(15)11(8-16-13)10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
CQVIWJVXKPODMC-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(C)OC=C(C1=O)c1ccccc1
Properties
Complexity:
366
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:
1.9
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