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75472-36-5 | [1,1'-Biphenyl]-4-carboxaldehyde, 4'-butoxy-
CAS No: 75472-36-5 Catalog No: AG005X7S MDL No:
Product Description
Catalog Number:
AG005X7S
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 4'-butoxy-
CAS Number:
75472-36-5
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
4-(4-butoxyphenyl)benzaldehyde
InChI:
InChI=1S/C17H18O2/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11,13H,2-3,12H2,1H3
InChI Key:
QZWLHLHITRMUCX-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1ccc(cc1)C=O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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