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41888-62-4 | 2-Methyl-4-(1,3-benzodioxole-5-ylmethylene)-2-oxazoline-5-one
CAS No: 41888-62-4 Catalog No: AG00D71X MDL No:
Product Description
Catalog Number:
AG00D71X
Chemical Name:
2-Methyl-4-(1,3-benzodioxole-5-ylmethylene)-2-oxazoline-5-one
CAS Number:
41888-62-4
IUPAC Name:
(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one
InChI:
InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4-
InChI Key:
YIPBMFCRAFHCPQ-WTKPLQERSA-N
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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