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138274-12-1 | 2,6-Piperidinedione, 3,3-dimethyl-1-(2-propyn-1-yl)-
CAS No: 138274-12-1 Catalog No: AG0018FK MDL No:
Product Description
Catalog Number:
AG0018FK
Chemical Name:
2,6-Piperidinedione, 3,3-dimethyl-1-(2-propyn-1-yl)-
CAS Number:
138274-12-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
3,3-dimethyl-1-prop-2-ynylpiperidine-2,6-dione
InChI:
InChI=1S/C10H13NO2/c1-4-7-11-8(12)5-6-10(2,3)9(11)13/h1H,5-7H2,2-3H3
InChI Key:
YILQGXPKVQHXBE-UHFFFAOYSA-N
SMILES:
C#CCN1C(=O)CCC(C1=O)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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