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192582-80-2 | 2(3H)-Furanone, dihydro-5-(2-methoxyphenyl)-3-methylene-, (5S)-
CAS No: 192582-80-2 Catalog No: AG002G44 MDL No:
Product Description
Catalog Number:
AG002G44
Chemical Name:
2(3H)-Furanone, dihydro-5-(2-methoxyphenyl)-3-methylene-, (5S)-
CAS Number:
192582-80-2
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
(5S)-5-(2-methoxyphenyl)-3-methylideneoxolan-2-one
InChI:
InChI=1S/C12H12O3/c1-8-7-11(15-12(8)13)9-5-3-4-6-10(9)14-2/h3-6,11H,1,7H2,2H3/t11-/m0/s1
InChI Key:
MKKYGMJIEHZSAK-NSHDSACASA-N
SMILES:
COc1ccccc1[C@@H]1CC(=C)C(=O)O1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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