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40052-08-2 | 4-(1-ethoxyethylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS No: 40052-08-2 Catalog No: AG019KGY MDL No:MFCD09040628
Product Description
Catalog Number:
AG019KGY
Chemical Name:
4-(1-ethoxyethylidene)-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS Number:
40052-08-2
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD09040628
IUPAC Name:
4-(1-ethoxyethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C13H13NO3/c1-3-16-9(2)11-13(15)17-12(14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
OCUKNVJNEOPYAH-UHFFFAOYSA-N
SMILES:
CCOC(=C1N=C(OC1=O)c1ccccc1)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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