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1035840-42-6 | 1-(1,3-benzoxazol-2-yl)piperidin-4-one
CAS No: 1035840-42-6 Catalog No: AG008V5X MDL No:MFCD09701641
Product Description
Catalog Number:
AG008V5X
Chemical Name:
1-(1,3-benzoxazol-2-yl)piperidin-4-one
CAS Number:
1035840-42-6
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09701641
IUPAC Name:
1-(1,3-benzoxazol-2-yl)piperidin-4-one
InChI:
InChI=1S/C12H12N2O2/c15-9-5-7-14(8-6-9)12-13-10-3-1-2-4-11(10)16-12/h1-4H,5-8H2
InChI Key:
SHLYGCSYYWXLCO-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1nc2c(o1)cccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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