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122801-83-6 | Benzenepropanal, 3-phenoxy-
CAS No: 122801-83-6 Catalog No: AG000JI2 MDL No:
Product Description
Catalog Number:
AG000JI2
Chemical Name:
Benzenepropanal, 3-phenoxy-
CAS Number:
122801-83-6
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
3-(3-phenoxyphenyl)propanal
InChI:
InChI=1S/C15H14O2/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-12H,5,7H2
InChI Key:
IAFFBDLQWKQKPU-UHFFFAOYSA-N
SMILES:
O=CCCc1cccc(c1)Oc1ccccc1
Properties
Complexity:
221
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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