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118555-99-0 | 4-(2,4-DIMETHOXYBENZYLIDENE)-5-OXO-2-PHENYLOXAZOLINE
CAS No: 118555-99-0 Catalog No: AG008XD8 MDL No:MFCD00034429
Product Description
Catalog Number:
AG008XD8
Chemical Name:
4-(2,4-DIMETHOXYBENZYLIDENE)-5-OXO-2-PHENYLOXAZOLINE
CAS Number:
118555-99-0
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
MDL Number:
MFCD00034429
IUPAC Name:
4-[(2,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H15NO4/c1-21-14-9-8-13(16(11-14)22-2)10-15-18(20)23-17(19-15)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
XYASTVNLIUEYBR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1/C=C/1\N=C(OC1=O)c1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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