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1211509-70-4 | 2-(5-methyl-3-isoxazolyl)piperidine
CAS No: 1211509-70-4 Catalog No: AG008VM3 MDL No:MFCD14702870
Product Description
Catalog Number:
AG008VM3
Chemical Name:
2-(5-methyl-3-isoxazolyl)piperidine
CAS Number:
1211509-70-4
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD14702870
IUPAC Name:
5-methyl-3-piperidin-2-yl-1,2-oxazole
InChI:
InChI=1S/C9H14N2O/c1-7-6-9(11-12-7)8-4-2-3-5-10-8/h6,8,10H,2-5H2,1H3
InChI Key:
BYXVVIQOTFWZNV-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)C1CCCCN1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.224g/mol
Monoisotopic Mass:
166.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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