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77012-48-7 | 5(4H)-Oxazolone, 4-(2-furanylmethylene)-2-phenyl-, (4Z)-
CAS No: 77012-48-7 Catalog No: AG005EQC MDL No:MFCD00125932
Product Description
Catalog Number:
AG005EQC
Chemical Name:
5(4H)-Oxazolone, 4-(2-furanylmethylene)-2-phenyl-, (4Z)-
CAS Number:
77012-48-7
Molecular Formula:
C14H9NO3
Molecular Weight:
239.2262
MDL Number:
MFCD00125932
IUPAC Name:
4-(furan-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C14H9NO3/c16-14-12(9-11-7-4-8-17-11)15-13(18-14)10-5-2-1-3-6-10/h1-9H
InChI Key:
QJBMVCDGBSYRJD-UHFFFAOYSA-N
SMILES:
O=C1OC(=N/C/1=C\c1ccco1)c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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