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5784-65-6 | Benzaldehyde Dibenzyl Acetal
CAS No: 5784-65-6 Catalog No: AG0038MG MDL No:
Product Description
Catalog Number:
AG0038MG
Chemical Name:
Benzaldehyde Dibenzyl Acetal
CAS Number:
5784-65-6
Molecular Formula:
C21H20O2
Molecular Weight:
304.3823
IUPAC Name:
bis(phenylmethoxy)methylbenzene
InChI:
InChI=1S/C21H20O2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChI Key:
WMWUFFDJWAAUQH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C(OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.146g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.389g/mol
Monoisotopic Mass:
304.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| Concerning the stability of benzyl alcohol: formation of benzaldehyde dibenzyl acetal under aerobic conditions. | Journal of pharmaceutical and biomedical analysis 20040310 |
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