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99539-83-0 | 1-[(pyridin-3-yl)methyl]piperidine-2,4-dione
CAS No: 99539-83-0 Catalog No: AG01AN2L MDL No:MFCD21944075
Product Description
Catalog Number:
AG01AN2L
Chemical Name:
1-[(pyridin-3-yl)methyl]piperidine-2,4-dione
CAS Number:
99539-83-0
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD21944075
IUPAC Name:
1-(pyridin-3-ylmethyl)piperidine-2,4-dione
InChI:
InChI=1S/C11H12N2O2/c14-10-3-5-13(11(15)6-10)8-9-2-1-4-12-7-9/h1-2,4,7H,3,5-6,8H2
InChI Key:
JPACICCUYSDIGA-UHFFFAOYSA-N
SMILES:
O=C1CCN(C(=O)C1)Cc1cccnc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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