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88278-87-9 | 1H-Azepine-4,5-dione, tetrahydro-1,3,3,6,6-pentamethyl-
CAS No: 88278-87-9 Catalog No: AG0049L2 MDL No:
Product Description
Catalog Number:
AG0049L2
Chemical Name:
1H-Azepine-4,5-dione, tetrahydro-1,3,3,6,6-pentamethyl-
CAS Number:
88278-87-9
Molecular Formula:
C11H19NO2
Molecular Weight:
197.2741
IUPAC Name:
1,3,3,6,6-pentamethylazepane-4,5-dione
InChI:
InChI=1S/C11H19NO2/c1-10(2)6-12(5)7-11(3,4)9(14)8(10)13/h6-7H2,1-5H3
InChI Key:
VMUOXFRSUZSGTO-UHFFFAOYSA-N
SMILES:
CN1CC(C)(C)C(=O)C(=O)C(C1)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.278g/mol
Monoisotopic Mass:
197.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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