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Home > Aldehydes > 230647-85-5
230647-85-5 | [1,1'-Biphenyl]-4-carboxaldehyde, 4'-acetyl-
CAS No: 230647-85-5 Catalog No: AG002M3K MDL No:
Product Description
Catalog Number:
AG002M3K
Chemical Name:
[1,1'-Biphenyl]-4-carboxaldehyde, 4'-acetyl-
CAS Number:
230647-85-5
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
IUPAC Name:
4-(4-acetylphenyl)benzaldehyde
InChI:
InChI=1S/C15H12O2/c1-11(17)13-6-8-15(9-7-13)14-4-2-12(10-16)3-5-14/h2-10H,1H3
InChI Key:
WSFMNWXMJBFYQT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccc(cc1)C(=O)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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