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88113-58-0 | 12-Azadispiro[4.1.4.2]tridecane-6,13-dione, 12-methoxy-, 6-oxime, (Z)-
CAS No: 88113-58-0 Catalog No: AG004E4T MDL No:
Product Description
Catalog Number:
AG004E4T
Chemical Name:
12-Azadispiro[4.1.4.2]tridecane-6,13-dione, 12-methoxy-, 6-oxime, (Z)-
CAS Number:
88113-58-0
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
IUPAC Name:
6-hydroxyimino-12-methoxy-12-azadispiro[4.1.47.25]tridecan-13-one
InChI:
InChI=1S/C13H20N2O3/c1-18-15-11(16)12(6-2-3-7-12)10(14-17)13(15)8-4-5-9-13/h17H,2-9H2,1H3
InChI Key:
YGLIDXJPAVXXSA-UHFFFAOYSA-N
SMILES:
CON1C(=O)C2(/C(=N/O)/C31CCCC3)CCCC2
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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