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1267216-63-6 | 7-methyl-2-(piperidin-4-yl)-1,3-benzoxazole
CAS No: 1267216-63-6 Catalog No: AG01AG8H MDL No:MFCD19375858
Product Description
Catalog Number:
AG01AG8H
Chemical Name:
7-methyl-2-(piperidin-4-yl)-1,3-benzoxazole
CAS Number:
1267216-63-6
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD19375858
IUPAC Name:
7-methyl-2-piperidin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C13H16N2O/c1-9-3-2-4-11-12(9)16-13(15-11)10-5-7-14-8-6-10/h2-4,10,14H,5-8H2,1H3
InChI Key:
XFNWBAIKMNDOLN-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1oc(n2)C1CCNCC1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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