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143906-88-1 | 1H-Azepine-2,7-dione, tetrahydrotrimethyl- (9CI)
CAS No: 143906-88-1 Catalog No: AG001ILW MDL No:
Product Description
Catalog Number:
AG001ILW
Chemical Name:
1H-Azepine-2,7-dione, tetrahydrotrimethyl- (9CI)
CAS Number:
143906-88-1
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
1,3,3-trimethylazepane-2,7-dione
InChI:
InChI=1S/C9H15NO2/c1-9(2)6-4-5-7(11)10(3)8(9)12/h4-6H2,1-3H3
InChI Key:
PGNSAEJJZGBXMH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C(=O)N1C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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