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17975-46-1 | 5(4H)-Isoxazolone, 4-[(4-methoxyphenyl)methylene]-3-methyl-
CAS No: 17975-46-1 Catalog No: AG00278W MDL No:
Product Description
Catalog Number:
AG00278W
Chemical Name:
5(4H)-Isoxazolone, 4-[(4-methoxyphenyl)methylene]-3-methyl-
CAS Number:
17975-46-1
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
4-[(4-methoxyphenyl)methylidene]-3-methyl-1,2-oxazol-5-one
InChI:
InChI=1S/C12H11NO3/c1-8-11(12(14)16-13-8)7-9-3-5-10(15-2)6-4-9/h3-7H,1-2H3
InChI Key:
BDRUBILCCDSZIW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C1C(=NOC1=O)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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