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51780-90-6 | 6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 51780-90-6 Catalog No: AG01A99E MDL No:MFCD09736335
Product Description
Catalog Number:
AG01A99E
Chemical Name:
6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
51780-90-6
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09736335
IUPAC Name:
6-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C12H13NO3/c14-12-4-1-8-5-9(2-3-11(8)13-12)15-6-10-7-16-10/h2-3,5,10H,1,4,6-7H2,(H,13,14)
InChI Key:
DYLLIXGCEBNMDQ-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1)ccc(c2)OCC1CO1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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