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123418-15-5 | 1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, 1,2-dimethyl ester
CAS No: 123418-15-5 Catalog No: AG000KK1 MDL No:
Product Description
Catalog Number:
AG000KK1
Chemical Name:
1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, 1,2-dimethyl ester
CAS Number:
123418-15-5
Molecular Formula:
C14H12O5
Molecular Weight:
260.2421
IUPAC Name:
dimethyl 3-(furan-2-yl)benzene-1,2-dicarboxylate
InChI:
InChI=1S/C14H12O5/c1-17-13(15)10-6-3-5-9(11-7-4-8-19-11)12(10)14(16)18-2/h3-8H,1-2H3
InChI Key:
BJVBJTAZRXDEIQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1c1ccco1)C(=O)OC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.245g/mol
Monoisotopic Mass:
260.068g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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