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52249-84-0 | Benzaldehyde, 3,6-dimethoxy-2,4-bis(phenylmethoxy)-
CAS No: 52249-84-0 Catalog No: AG006VH9 MDL No:
Product Description
Catalog Number:
AG006VH9
Chemical Name:
Benzaldehyde, 3,6-dimethoxy-2,4-bis(phenylmethoxy)-
CAS Number:
52249-84-0
Molecular Formula:
C23H22O5
Molecular Weight:
378.4178
IUPAC Name:
3,6-dimethoxy-2,4-bis(phenylmethoxy)benzaldehyde
InChI:
InChI=1S/C23H22O5/c1-25-20-13-21(27-15-17-9-5-3-6-10-17)23(26-2)22(19(20)14-24)28-16-18-11-7-4-8-12-18/h3-14H,15-16H2,1-2H3
InChI Key:
GCEAPVKVMYVTRI-UHFFFAOYSA-N
SMILES:
COc1cc(OCc2ccccc2)c(c(c1C=O)OCc1ccccc1)OC
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.147g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.424g/mol
Monoisotopic Mass:
378.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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