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Dicyanoglutarate

HCID 86740765
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#COC(=O)CCCC(=O)OC#N
InChIKey
HXVSHYULHRMHAV-UHFFFAOYSA-N
Molecular formula
C7H6N2O4
Average molar mass
182.13 g/mol
Monoisotopic mass
182.03275668

Names & identifiers

Preferred name
Dicyanoglutarate
IUPAC
dicyano pentanedioate

Names & synonyms

dicyanoglutarateSCHEMBL3818112HXVSHYULHRMHAV-UHFFFAOYSA-N

Database identifiers

PubChem CID
86740765

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
100 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
13
Formal charge
0
Complexity
262

Related reactions

2 records
New reaction record
HRID 201600 reaction equation
HRID 201600As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 279789 reaction equation
HRID 279789As reactantuspto-grants-1986_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes