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72407-29-5 | 2,4-Pentanedione, 3-(1-methyl-6-oxo-2-piperidinyl)-
CAS No: 72407-29-5 Catalog No: AG005HLK MDL No:
Product Description
Catalog Number:
AG005HLK
Chemical Name:
2,4-Pentanedione, 3-(1-methyl-6-oxo-2-piperidinyl)-
CAS Number:
72407-29-5
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
IUPAC Name:
3-(1-methyl-6-oxopiperidin-2-yl)pentane-2,4-dione
InChI:
InChI=1S/C11H17NO3/c1-7(13)11(8(2)14)9-5-4-6-10(15)12(9)3/h9,11H,4-6H2,1-3H3
InChI Key:
KYDWULAKFUONKY-UHFFFAOYSA-N
SMILES:
CC(=O)C(C1CCCC(=O)N1C)C(=O)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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