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75677-08-6 | Benzaldehyde, 4-(3-phenylpropoxy)-
CAS No: 75677-08-6 Catalog No: AG005VMF MDL No:
Product Description
Catalog Number:
AG005VMF
Chemical Name:
Benzaldehyde, 4-(3-phenylpropoxy)-
CAS Number:
75677-08-6
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
4-(3-phenylpropoxy)benzaldehyde
InChI:
InChI=1S/C16H16O2/c17-13-15-8-10-16(11-9-15)18-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2
InChI Key:
YYKBLXAPERCAGZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCCc1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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