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19851-61-7 | 1,4-Benzenedicarboxylic acid, 1,4-bis(phenylmethyl) ester
CAS No: 19851-61-7 Catalog No: AG002BKG MDL No:
Product Description
Catalog Number:
AG002BKG
Chemical Name:
1,4-Benzenedicarboxylic acid, 1,4-bis(phenylmethyl) ester
CAS Number:
19851-61-7
Molecular Formula:
C22H18O4
Molecular Weight:
346.3759
IUPAC Name:
dibenzyl benzene-1,4-dicarboxylate
InChI:
InChI=1S/C22H18O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key:
IWGFEQWCMAADJZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)OCc1ccccc1)OCc1ccccc1
EC Number:
243-370-0
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.382g/mol
Monoisotopic Mass:
346.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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