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115218-91-2 | 1,4-Benzenedicarboxylic acid, 1,4-bis(4-hydroxymethylphenyl) ester
CAS No: 115218-91-2 Catalog No: AG000GH6 MDL No:
Product Description
Catalog Number:
AG000GH6
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(4-hydroxymethylphenyl) ester
CAS Number:
115218-91-2
Molecular Formula:
C22H18O6
Molecular Weight:
378.3747
IUPAC Name:
bis[4-(hydroxymethyl)phenyl] benzene-1,4-dicarboxylate
InChI:
InChI=1S/C22H18O6/c23-13-15-1-9-19(10-2-15)27-21(25)17-5-7-18(8-6-17)22(26)28-20-11-3-16(14-24)4-12-20/h1-12,23-24H,13-14H2
InChI Key:
FSKQKHRBQUUIJF-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)OC(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)CO
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.11g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
378.38g/mol
Monoisotopic Mass:
378.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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