CAS
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3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide
Catalog Number
ACMA00003046
Category
Phenols
Molecular Weight
206.20
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Specification
Appearance
fibers
Hazard Statements
H301 + H311-H314
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The molecular formula is C10H10N2O3.
What is the molecular weight of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The molecular weight is 206.20 g/mol.
What is the IUPAC name of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The IUPAC name is 3,8-dioxo-2,5,6,7-tetrahydroisoquinoline-4-carboxamide.
What is the InChI of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The InChI is "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)".
What is the InChIKey of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The InChIKey is "GZVWSWSRRHLJRC-UHFFFAOYSA-N".
What is the canonical SMILES of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The canonical SMILES is "C1CC2=C(C(=O)NC=C2C(=O)C1)C(=O)N".
What is the XLogP3-AA value of 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide?
The XLogP3-AA value is -0.8.
How many hydrogen bond donor count does 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide have?
It has 2 hydrogen bond donor count.
How many hydrogen bond acceptor count does 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide have?
It has 3 hydrogen bond acceptor count.
How many rotatable bond count does 3,8-Dioxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarboxamide have?
It has 1 rotatable bond count.
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