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86771-48-4 | 2(3H)-Furanone, dihydro-5-[[(4-methoxyphenyl)methoxy]methyl]-, (R)-
CAS No: 86771-48-4 Catalog No: AG004N3A MDL No:
Product Description
Catalog Number:
AG004N3A
Chemical Name:
2(3H)-Furanone, dihydro-5-[[(4-methoxyphenyl)methoxy]methyl]-, (R)-
CAS Number:
86771-48-4
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
(5R)-5-[(4-methoxyphenyl)methoxymethyl]oxolan-2-one
InChI:
InChI=1S/C13H16O4/c1-15-11-4-2-10(3-5-11)8-16-9-12-6-7-13(14)17-12/h2-5,12H,6-9H2,1H3/t12-/m1/s1
InChI Key:
TXTROYFDDKUOMH-GFCCVEGCSA-N
SMILES:
COc1ccc(cc1)COC[C@H]1CCC(=O)O1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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