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90058-25-6 | 6,9-Diazaspiro[4.5]decane-7,10-dione, 8-(hydroxymethyl)-, (S)-
CAS No: 90058-25-6 Catalog No: AG00H8TJ MDL No:
Product Description
Catalog Number:
AG00H8TJ
Chemical Name:
6,9-Diazaspiro[4.5]decane-7,10-dione, 8-(hydroxymethyl)-, (S)-
CAS Number:
90058-25-6
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
(8S)-8-(hydroxymethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
InChI:
InChI=1S/C9H14N2O3/c12-5-6-7(13)11-9(8(14)10-6)3-1-2-4-9/h6,12H,1-5H2,(H,10,14)(H,11,13)/t6-/m0/s1
InChI Key:
RDUZNDBHVAWDKB-LURJTMIESA-N
SMILES:
OC[C@@H]1NC(=O)C2(NC1=O)CCCC2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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