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177364-95-3 | 2,5-Thiophenedicarboxylic acid, 3,4-bis(phenylmethoxy)-, 2,5-diethyl ester
CAS No: 177364-95-3 Catalog No: AG00259R MDL No:
Product Description
Catalog Number:
AG00259R
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3,4-bis(phenylmethoxy)-, 2,5-diethyl ester
CAS Number:
177364-95-3
Molecular Formula:
C24H24O6S
Molecular Weight:
440.5088
IUPAC Name:
diethyl 3,4-bis(phenylmethoxy)thiophene-2,5-dicarboxylate
InChI:
InChI=1S/C24H24O6S/c1-3-27-23(25)21-19(29-15-17-11-7-5-8-12-17)20(22(31-21)24(26)28-4-2)30-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChI Key:
PHTIFMBSWIQBTC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c(c1OCc1ccccc1)OCc1ccccc1)C(=O)OCC
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.129g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.51g/mol
Monoisotopic Mass:
440.129g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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