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85825-85-0 | 2-[(4-METHYLBENZYL)OXY]BENZALDEHYDE
CAS No: 85825-85-0 Catalog No: AG004RBN MDL No:MFCD00564769
Product Description
Catalog Number:
AG004RBN
Chemical Name:
2-[(4-METHYLBENZYL)OXY]BENZALDEHYDE
CAS Number:
85825-85-0
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00564769
IUPAC Name:
2-[(4-methylphenyl)methoxy]benzaldehyde
InChI:
InChI=1S/C15H14O2/c1-12-6-8-13(9-7-12)11-17-15-5-3-2-4-14(15)10-16/h2-10H,11H2,1H3
InChI Key:
KLZXAPCLPREJOL-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCc1ccc(cc1)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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