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131933-37-4 | 1,4-Benzenedicarboxylic acid, 2,3-bis(phenylmethoxy)-
CAS No: 131933-37-4 Catalog No: AG000ZXE MDL No:
Product Description
Catalog Number:
AG000ZXE
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,3-bis(phenylmethoxy)-
CAS Number:
131933-37-4
Molecular Formula:
C22H18O6
Molecular Weight:
378.3747
IUPAC Name:
2,3-bis(phenylmethoxy)terephthalic acid
InChI:
InChI=1S/C22H18O6/c23-21(24)17-11-12-18(22(25)26)20(28-14-16-9-5-2-6-10-16)19(17)27-13-15-7-3-1-4-8-15/h1-12H,13-14H2,(H,23,24)(H,25,26)
InChI Key:
MNGZHXUINUBLGV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1OCc1ccccc1)OCc1ccccc1)C(=O)O
Properties
Complexity:
463
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:
3.9
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