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113426-33-8 | 2(3H)-Furanone, dihydro-3-(1-hydroxy-1-phenylethyl)-5-methyl-
CAS No: 113426-33-8 Catalog No: AG0008K4 MDL No:
Product Description
Catalog Number:
AG0008K4
Chemical Name:
2(3H)-Furanone, dihydro-3-(1-hydroxy-1-phenylethyl)-5-methyl-
CAS Number:
113426-33-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
3-(1-hydroxy-1-phenylethyl)-5-methyloxolan-2-one
InChI:
InChI=1S/C13H16O3/c1-9-8-11(12(14)16-9)13(2,15)10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3
InChI Key:
LUILHZAMVIVGQQ-UHFFFAOYSA-N
SMILES:
CC1CC(C(=O)O1)C(c1ccccc1)(O)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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