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101287-10-9 | 5(4H)-Oxazolone, 4-heptylidene-2-phenyl-
CAS No: 101287-10-9 Catalog No: AG000454 MDL No:
Product Description
Catalog Number:
AG000454
Chemical Name:
5(4H)-Oxazolone, 4-heptylidene-2-phenyl-
CAS Number:
101287-10-9
Molecular Formula:
C16H19NO2
Molecular Weight:
257.3276
IUPAC Name:
4-heptylidene-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C16H19NO2/c1-2-3-4-5-9-12-14-16(18)19-15(17-14)13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3
InChI Key:
UZLNYJZRYGZNCA-UHFFFAOYSA-N
SMILES:
CCCCCCC=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.333g/mol
Monoisotopic Mass:
257.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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