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171113-31-8 | 3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
CAS No: 171113-31-8 Catalog No: AG00IR6Q MDL No:MFCD03425819
Product Description
Catalog Number:
AG00IR6Q
Chemical Name:
3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
CAS Number:
171113-31-8
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD03425819
IUPAC Name:
3,8-dioxo-2,5,6,7-tetrahydroisoquinoline-4-carboxamide
InChI:
InChI=1S/C10H10N2O3/c11-9(14)8-5-2-1-3-7(13)6(5)4-12-10(8)15/h4H,1-3H2,(H2,11,14)(H,12,15)
InChI Key:
GZVWSWSRRHLJRC-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(=O)[nH]cc2c1CCCC2=O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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