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122854-65-3 | [1,1'-Biphenyl]-4-butanal
CAS No: 122854-65-3 Catalog No: AG000JLP MDL No:
Product Description
Catalog Number:
AG000JLP
Chemical Name:
[1,1'-Biphenyl]-4-butanal
CAS Number:
122854-65-3
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
4-(4-phenylphenyl)butanal
InChI:
InChI=1S/C16H16O/c17-13-5-4-6-14-9-11-16(12-10-14)15-7-2-1-3-8-15/h1-3,7-13H,4-6H2
InChI Key:
LWDLIPCWARWGPH-UHFFFAOYSA-N
SMILES:
O=CCCCc1ccc(cc1)c1ccccc1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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