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5438-08-4 | 2-phenyl-4-(3-phenylprop-2-enylidene)-4,5-dihydro-1,3-oxazol-5-one
CAS No: 5438-08-4 Catalog No: AG01CB00 MDL No:MFCD00419326
Product Description
Catalog Number:
AG01CB00
Chemical Name:
2-phenyl-4-(3-phenylprop-2-enylidene)-4,5-dihydro-1,3-oxazol-5-one
CAS Number:
5438-08-4
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
MDL Number:
MFCD00419326
IUPAC Name:
4-cinnamylidene-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H13NO2/c20-18-16(13-7-10-14-8-3-1-4-9-14)19-17(21-18)15-11-5-2-6-12-15/h1-13H
InChI Key:
AYHSMADDXZUZBX-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C/C=C/c1ccccc1)c1ccccc1
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.2
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