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138689-57-3 | 2,4-Oxazolidinedione, 5-(1,3-benzodioxol-5-ylmethylene)-3-ethyl-
CAS No: 138689-57-3 Catalog No: AG001904 MDL No:
Product Description
Catalog Number:
AG001904
Chemical Name:
2,4-Oxazolidinedione, 5-(1,3-benzodioxol-5-ylmethylene)-3-ethyl-
CAS Number:
138689-57-3
Molecular Formula:
C13H11NO5
Molecular Weight:
261.2301
IUPAC Name:
5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C13H11NO5/c1-2-14-12(15)11(19-13(14)16)6-8-3-4-9-10(5-8)18-7-17-9/h3-6H,2,7H2,1H3
InChI Key:
DJOCGVVWOLDNSM-UHFFFAOYSA-N
SMILES:
CCN1C(=O)OC(=Cc2ccc3c(c2)OCO3)C1=O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.233g/mol
Monoisotopic Mass:
261.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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