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57427-78-8 | (4Z)-4-[(4-methoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS No: 57427-78-8 Catalog No: AG00VTAF MDL No:MFCD00020889
Product Description
Catalog Number:
AG00VTAF
Chemical Name:
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
CAS Number:
57427-78-8
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
MDL Number:
MFCD00020889
IUPAC Name:
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO3/c1-20-14-9-7-12(8-10-14)11-15-17(19)21-16(18-15)13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
InChI Key:
MGAHWEWWFYOBNW-PTNGSMBKSA-N
SMILES:
COc1ccc(cc1)/C=C/1\N=C(OC1=O)c1ccccc1
NSC Number:
13374
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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