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122860-98-4 | 3,4-Furandicarboxylic acid, 2-(1,3-benzodioxol-5-yl)tetrahydro-5-oxo-4-(3,4,5-trimethoxybenzoyl)-, dimethyl ester, (2α,3β,4β)- (9CI)
CAS No: 122860-98-4 Catalog No: AG000JN9 MDL No:
Product Description
Catalog Number:
AG000JN9
Chemical Name:
3,4-Furandicarboxylic acid, 2-(1,3-benzodioxol-5-yl)tetrahydro-5-oxo-4-(3,4,5-trimethoxybenzoyl)-, dimethyl ester, (2α,3β,4β)- (9CI)
CAS Number:
122860-98-4
IUPAC Name:
dimethyl 5-(1,3-benzodioxol-5-yl)-2-oxo-3-(3,4,5-trimethoxybenzoyl)oxolane-3,4-dicarboxylate
InChI:
InChI=1S/C25H24O12/c1-30-16-9-13(10-17(31-2)20(16)32-3)21(26)25(23(28)34-5)18(22(27)33-4)19(37-24(25)29)12-6-7-14-15(8-12)36-11-35-14/h6-10,18-19H,11H2,1-5H3
InChI Key:
QNKKPNJXKCOWJF-UHFFFAOYSA-N
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.127g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.455g/mol
Monoisotopic Mass:
516.127g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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