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Home > Other Heterocycles > 14854-16-1
14854-16-1 | 12-Azadispiro[4.1.4.2]tridec-8-ene-6,13-dione, 12-hydroxy-
CAS No: 14854-16-1 Catalog No: AG001L04 MDL No:
Product Description
Catalog Number:
AG001L04
Chemical Name:
12-Azadispiro[4.1.4.2]tridec-8-ene-6,13-dione, 12-hydroxy-
CAS Number:
14854-16-1
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
12-hydroxy-12-azadispiro[4.1.47.25]tridec-10-ene-6,13-dione
InChI:
InChI=1S/C12H15NO3/c14-9-11(5-1-2-6-11)10(15)13(16)12(9)7-3-4-8-12/h3,7,16H,1-2,4-6,8H2
InChI Key:
YMDRQLPIYSMFFS-UHFFFAOYSA-N
SMILES:
ON1C(=O)C2(C(=O)C31CCC=C3)CCCC2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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