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119986-67-3 | 3-Furancarboxylic acid, 2-(3,4-dimethoxyphenyl)tetrahydro-5-oxo-, methyl ester, (2R,3R)-rel-
CAS No: 119986-67-3 Catalog No: AG000PZL MDL No:
Product Description
Catalog Number:
AG000PZL
Chemical Name:
3-Furancarboxylic acid, 2-(3,4-dimethoxyphenyl)tetrahydro-5-oxo-, methyl ester, (2R,3R)-rel-
CAS Number:
119986-67-3
Molecular Formula:
C14H16O6
Molecular Weight:
280.2732
IUPAC Name:
methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate
InChI:
InChI=1S/C14H16O6/c1-17-10-5-4-8(6-11(10)18-2)13-9(14(16)19-3)7-12(15)20-13/h4-6,9,13H,7H2,1-3H3/t9-,13+/m0/s1
InChI Key:
USCRXCPMYUIYBB-TVQRCGJNSA-N
SMILES:
COC(=O)[C@@H]1CC(=O)O[C@H]1c1ccc(c(c1)OC)OC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.276g/mol
Monoisotopic Mass:
280.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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