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104508-27-2 | Benzaldehyde,3-(phenoxymethyl)-
CAS No: 104508-27-2 Catalog No: AG0085W8 MDL No:MFCD09025913
Product Description
Catalog Number:
AG0085W8
Chemical Name:
Benzaldehyde,3-(phenoxymethyl)-
CAS Number:
104508-27-2
Molecular Formula:
C14H12O2
Molecular Weight:
212.2439
MDL Number:
MFCD09025913
IUPAC Name:
3-(phenoxymethyl)benzaldehyde
InChI:
InChI=1S/C14H12O2/c15-10-12-5-4-6-13(9-12)11-16-14-7-2-1-3-8-14/h1-10H,11H2
InChI Key:
KZUJGQAFTCDBKA-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)COc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.248g/mol
Monoisotopic Mass:
212.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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