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85986-90-9 | 5(4H)-Oxazolone, 4-[(3-hydroxyphenyl)methylene]-2-methyl-
CAS No: 85986-90-9 Catalog No: AG004M69 MDL No:
Product Description
Catalog Number:
AG004M69
Chemical Name:
5(4H)-Oxazolone, 4-[(3-hydroxyphenyl)methylene]-2-methyl-
CAS Number:
85986-90-9
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
4-[(3-hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C11H9NO3/c1-7-12-10(11(14)15-7)6-8-3-2-4-9(13)5-8/h2-6,13H,1H3
InChI Key:
UMMSCDIPSJQKPS-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C=C1N=C(OC1=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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