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215878-20-9 | 3-(4-Piperidinyl);-1,3-benzoxazol-2(3H);-one
CAS No: 215878-20-9 Catalog No: AG0070JS MDL No:MFCD09999150
Product Description
Catalog Number:
AG0070JS
Chemical Name:
3-(4-Piperidinyl);-1,3-benzoxazol-2(3H);-one
CAS Number:
215878-20-9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD09999150
IUPAC Name:
3-piperidin-4-yl-1,3-benzoxazol-2-one
InChI:
InChI=1S/C12H14N2O2/c15-12-14(9-5-7-13-8-6-9)10-3-1-2-4-11(10)16-12/h1-4,9,13H,5-8H2
InChI Key:
SDARRYSVKYQEIW-UHFFFAOYSA-N
SMILES:
O=c1oc2c(n1C1CCNCC1)cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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