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890099-56-6 | 4-ACETOXY-4'-CYANOBENZOPHENONE
CAS No: 890099-56-6 Catalog No: AG00444A MDL No:
Product Description
Catalog Number:
AG00444A
Chemical Name:
4-ACETOXY-4'-CYANOBENZOPHENONE
CAS Number:
890099-56-6
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
[4-(4-cyanobenzoyl)phenyl] acetate
InChI:
InChI=1S/C16H11NO3/c1-11(18)20-15-8-6-14(7-9-15)16(19)13-4-2-12(10-17)3-5-13/h2-9H,1H3
InChI Key:
QOQFSWINMSHEOU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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