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132785-70-7 | 1H-Oxepino[4,5-c]pyrrole-1,3(2H)-dione, 2,4,5,7,8-pentamethyl-
CAS No: 132785-70-7 Catalog No: AG00116L MDL No:
Product Description
Catalog Number:
AG00116L
Chemical Name:
1H-Oxepino[4,5-c]pyrrole-1,3(2H)-dione, 2,4,5,7,8-pentamethyl-
CAS Number:
132785-70-7
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
2,4,5,7,8-pentamethyloxepino[4,5-c]pyrrole-1,3-dione
InChI:
InChI=1S/C13H15NO3/c1-6-8(3)17-9(4)7(2)11-10(6)12(15)14(5)13(11)16/h1-5H3
InChI Key:
DKVRCHIDAUHWSL-UHFFFAOYSA-N
SMILES:
Cc1oc(C)c(c2=c(c1C)c(=O)n(c2=O)C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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