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87656-16-4 | Cyclopropanecarbonitrile, 1-(acetyloxy)-2,2-diphenyl-
CAS No: 87656-16-4 Catalog No: AG004O12 MDL No:
Product Description
Catalog Number:
AG004O12
Chemical Name:
Cyclopropanecarbonitrile, 1-(acetyloxy)-2,2-diphenyl-
CAS Number:
87656-16-4
Molecular Formula:
C18H15NO2
Molecular Weight:
277.3172
IUPAC Name:
(1-cyano-2,2-diphenylcyclopropyl) acetate
InChI:
InChI=1S/C18H15NO2/c1-14(20)21-17(13-19)12-18(17,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12H2,1H3
InChI Key:
ACFKZUMSZWXYLR-UHFFFAOYSA-N
SMILES:
N#CC1(OC(=O)C)CC1(c1ccccc1)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.11g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.323g/mol
Monoisotopic Mass:
277.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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