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119671-47-5 | 4H-Pyran-4-one, 2-chloro-6-(4-morpholinyl)-
CAS No: 119671-47-5 Catalog No: AG000PFL MDL No:MFCD28405027
Product Description
Catalog Number:
AG000PFL
Chemical Name:
4H-Pyran-4-one, 2-chloro-6-(4-morpholinyl)-
CAS Number:
119671-47-5
Molecular Formula:
C9H10ClNO3
Molecular Weight:
215.6336
MDL Number:
MFCD28405027
IUPAC Name:
2-chloro-6-morpholin-4-ylpyran-4-one
InChI:
InChI=1S/C9H10ClNO3/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11/h5-6H,1-4H2
InChI Key:
QGZKNCBYDQXMQU-UHFFFAOYSA-N
SMILES:
Clc1oc(cc(=O)c1)N1CCOCC1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.633g/mol
Monoisotopic Mass:
215.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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