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13246-46-3 | Benzaldehyde, 2,4-bis(phenylmethoxy)-
CAS No: 13246-46-3 Catalog No: AG0010PM MDL No:MFCD00022024
Product Description
Catalog Number:
AG0010PM
Chemical Name:
Benzaldehyde, 2,4-bis(phenylmethoxy)-
CAS Number:
13246-46-3
Molecular Formula:
C21H18O3
Molecular Weight:
318.3658
MDL Number:
MFCD00022024
IUPAC Name:
2,4-bis(phenylmethoxy)benzaldehyde
InChI:
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)13-21(19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key:
DMYYTMVFUMDOGC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.126g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.372g/mol
Monoisotopic Mass:
318.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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