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Home > Other Heterocycles > 98735-80-9
98735-80-9 | 4,7-Diazaspiro[2.5]octane-5,8-dione, 6-(phenylmethyl)-, (6S)-
CAS No: 98735-80-9 Catalog No: AG00678H MDL No:
Product Description
Catalog Number:
AG00678H
Chemical Name:
4,7-Diazaspiro[2.5]octane-5,8-dione, 6-(phenylmethyl)-, (6S)-
CAS Number:
98735-80-9
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
6-benzyl-4,7-diazaspiro[2.5]octane-5,8-dione
InChI:
InChI=1S/C13H14N2O2/c16-11-10(8-9-4-2-1-3-5-9)14-12(17)13(15-11)6-7-13/h1-5,10H,6-8H2,(H,14,17)(H,15,16)
InChI Key:
GLYKSDSTTQKACQ-UHFFFAOYSA-N
SMILES:
O=C1NC2(CC2)C(=O)N[C@H]1Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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