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13211-01-3 | 1-Butanone, 1-[1,1'-biphenyl]-4-yl-
CAS No: 13211-01-3 Catalog No: AG00108C MDL No:MFCD00041352
Product Description
Catalog Number:
AG00108C
Chemical Name:
1-Butanone, 1-[1,1'-biphenyl]-4-yl-
CAS Number:
13211-01-3
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
MDL Number:
MFCD00041352
IUPAC Name:
1-(4-phenylphenyl)butan-1-one
InChI:
InChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3
InChI Key:
WOFNMZNJGZJHJO-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(cc1)c1ccccc1
EC Number:
236-178-3
NSC Number:
24804
Properties
Complexity:
232
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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