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128994-28-5 | 2(3H)-Furanone, dihydro-5-(4-methoxyphenyl)-, (5S)-
CAS No: 128994-28-5 Catalog No: AG000YQP MDL No:
Product Description
Catalog Number:
AG000YQP
Chemical Name:
2(3H)-Furanone, dihydro-5-(4-methoxyphenyl)-, (5S)-
CAS Number:
128994-28-5
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
5-(4-methoxyphenyl)oxolan-2-one
InChI:
InChI=1S/C11H12O3/c1-13-9-4-2-8(3-5-9)10-6-7-11(12)14-10/h2-5,10H,6-7H2,1H3
InChI Key:
CEEZYDZJAVPUOA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[C@@H]1CCC(=O)O1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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