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287953-82-6 | Benzaldehyde, 4-(3,5-dimethylphenoxy)-
CAS No: 287953-82-6 Catalog No: AG002WIG MDL No:
Product Description
Catalog Number:
AG002WIG
Chemical Name:
Benzaldehyde, 4-(3,5-dimethylphenoxy)-
CAS Number:
287953-82-6
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
4-(3,5-dimethylphenoxy)benzaldehyde
InChI:
InChI=1S/C15H14O2/c1-11-7-12(2)9-15(8-11)17-14-5-3-13(10-16)4-6-14/h3-10H,1-2H3
InChI Key:
NGGGBCMNULQOQL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)Oc1cc(C)cc(c1)C
Properties
Complexity:
233
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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