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102535-05-7 | 2(3H)-Furanone, dihydro-3-methyl-5-(2-phenylethyl)-, trans- (9CI)
CAS No: 102535-05-7 Catalog No: AG0007OA MDL No:
Product Description
Catalog Number:
AG0007OA
Chemical Name:
2(3H)-Furanone, dihydro-3-methyl-5-(2-phenylethyl)-, trans- (9CI)
CAS Number:
102535-05-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
3-methyl-5-(2-phenylethyl)oxolan-2-one
InChI:
InChI=1S/C13H16O2/c1-10-9-12(15-13(10)14)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChI Key:
LRXIOTMZUVODEL-UHFFFAOYSA-N
SMILES:
O=C1O[C@H](C[C@@H]1C)CCc1ccccc1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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