(E)-but-2-enedioic acid;bis(nitric acid)

C4H6N2O10 — CID 172779098

IUPAC(E)-but-2-enedioic acid;bis(nitric acid)
SMILESO=C(O)/C=C/C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H4O4.2HNO3/c5-3(6)1-2-4(7)8;2*2-1(3)4/h1-2H,(H,5,6)(H,7,8);2*(H,2,3,4)/b2-1+;;
InChIKeyNZYPOXUBRCLCFN-SEPHDYHBSA-N
MW242.10 g/mol
LogP-0.98
Rot. Bonds2

About (E)-but-2-enedioic acid;bis(nitric acid)

(E)-but-2-enedioic acid;bis(nitric acid) (PubChem CID 172779098) has the molecular formula C4H6N2O10 and a molecular weight of 242.10 g/mol. Its IUPAC name is (E)-but-2-enedioic acid;bis(nitric acid).

Molecular Properties

Compound Name(E)-but-2-enedioic acid;bis(nitric acid)
PubChem CID172779098
Molecular FormulaC4H6N2O10
Molecular Weight242.10 g/mol
Exact Mass242.00
IUPAC Name(E)-but-2-enedioic acid;bis(nitric acid)
SMILESO=C(O)/C=C/C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O
InChIInChI=1S/C4H4O4.2HNO3/c5-3(6)1-2-4(7)8;2*2-1(3)4/h1-2H,(H,5,6)(H,7,8);2*(H,2,3,4)/b2-1+;;
InChIKeyNZYPOXUBRCLCFN-SEPHDYHBSA-N
XLogP-0.98
TPSA201.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioic acid;bis(nitric acid)?
The IUPAC name of (E)-but-2-enedioic acid;bis(nitric acid) (CID 172779098) is (E)-but-2-enedioic acid;bis(nitric acid).
What is the SMILES notation for (E)-but-2-enedioic acid;bis(nitric acid)?
The canonical SMILES for (E)-but-2-enedioic acid;bis(nitric acid) is O=C(O)/C=C/C(=O)O.O=[N+]([O-])O.O=[N+]([O-])O.
What is the InChIKey of (E)-but-2-enedioic acid;bis(nitric acid)?
The InChIKey is NZYPOXUBRCLCFN-SEPHDYHBSA-N. The full InChI is InChI=1S/C4H4O4.2HNO3/c5-3(6)1-2-4(7)8;2*2-1(3)4/h1-2H,(H,5,6)(H,7,8);2*(H,2,3,4)/b2-1+;;.
What are the key properties of (E)-but-2-enedioic acid;bis(nitric acid)?
(E)-but-2-enedioic acid;bis(nitric acid) has a molecular weight of 242.10 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioic acid;bis(nitric acid) is sourced from PubChem (CID 172779098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).