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Succinimidyl-1-pyrenebutanoic acid

HCID 18459595
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCc1c(N2C(=O)CCC2=O)cc2ccc3cccc4ccc1c2c34
InChIKey
FQBMSISYYVTXLF-UHFFFAOYSA-N
Molecular formula
C24H19NO4
Average molar mass
385.4 g/mol
Monoisotopic mass
385.13140809

Names & identifiers

Preferred name
Succinimidyl-1-pyrenebutanoic acid
IUPAC
4-[2-(2,5-dioxopyrrolidin-1-yl)pyren-1-yl]butanoic acid

Names & synonyms

SCHEMBL1133422FQBMSISYYVTXLF-UHFFFAOYSA-Nsuccinimidyl-1-pyrenebutanoic acid

Database identifiers

PubChem CID
18459595

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
74.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Formal charge
0
Complexity
674

Related reactions

2 records
New reaction record
HRID 2302133 reaction equation
HRID 2302133As productuspto-grants-2002_08
HRID 2332569 reaction equation
HRID 2332569As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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