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84381-69-1 | 5(4H)-Oxazolone, 4-cycloheptylidene-2-phenyl-
CAS No: 84381-69-1 Catalog No: AG004X67 MDL No:
Product Description
Catalog Number:
AG004X67
Chemical Name:
5(4H)-Oxazolone, 4-cycloheptylidene-2-phenyl-
CAS Number:
84381-69-1
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
4-cycloheptylidene-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H17NO2/c18-16-14(12-8-4-1-2-5-9-12)17-15(19-16)13-10-6-3-7-11-13/h3,6-7,10-11H,1-2,4-5,8-9H2
InChI Key:
YZLKMVGJFQNJNX-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=C1CCCCCC1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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