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1220027-15-5 | Piperidine, 3-(3-methyl-5-isoxazolyl)-
CAS No: 1220027-15-5 Catalog No: AG0016KC MDL No:
Product Description
Catalog Number:
AG0016KC
Chemical Name:
Piperidine, 3-(3-methyl-5-isoxazolyl)-
CAS Number:
1220027-15-5
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
IUPAC Name:
3-methyl-5-piperidin-3-yl-1,2-oxazole
InChI:
InChI=1S/C9H14N2O/c1-7-5-9(12-11-7)8-3-2-4-10-6-8/h5,8,10H,2-4,6H2,1H3
InChI Key:
CMZOGZPXPUHNSK-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)C1CCCNC1
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:
0.9
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