(E)-but-2-enedioate;chromium(3+);nitrate

C4H2CrNO7 — CID 138394845

IUPAC(E)-but-2-enedioate;chromium(3+);nitrate
SMILESO=C([O-])/C=C\C(=O)[O-].O=[N+]([O-])[O-].[Cr+3]
InChIInChI=1S/C4H4O4.Cr.NO3/c5-3(6)1-2-4(7)8;;2-1(3)4/h1-2H,(H,5,6)(H,7,8);;/q;+3;-1/p-2/b2-1-;;
InChIKeyIFEAFZNULQCEHN-UAIGNFCESA-L
MW228.06 g/mol
LogP-3.20
Rot. Bonds2

About (E)-but-2-enedioate;chromium(3+);nitrate

(E)-but-2-enedioate;chromium(3+);nitrate (PubChem CID 138394845) has the molecular formula C4H2CrNO7 and a molecular weight of 228.06 g/mol. Its IUPAC name is (E)-but-2-enedioate;chromium(3+);nitrate.

Molecular Properties

Compound Name(E)-but-2-enedioate;chromium(3+);nitrate
PubChem CID138394845
Molecular FormulaC4H2CrNO7
Molecular Weight228.06 g/mol
Exact Mass227.92
IUPAC Name(E)-but-2-enedioate;chromium(3+);nitrate
SMILESO=C([O-])/C=C\C(=O)[O-].O=[N+]([O-])[O-].[Cr+3]
InChIInChI=1S/C4H4O4.Cr.NO3/c5-3(6)1-2-4(7)8;;2-1(3)4/h1-2H,(H,5,6)(H,7,8);;/q;+3;-1/p-2/b2-1-;;
InChIKeyIFEAFZNULQCEHN-UAIGNFCESA-L
XLogP-3.20
TPSA146.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 5-3.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

(E)-but-2-enedioate
CID 5460307
but-2-enedioate;manganese(2+)
CID 57354505
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(Z)-but-2-enedioate
CID 6364608
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
beryllium (Z)-but-2-enedioate
CID 140577680
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
tris((Z)-but-2-enedioate);neodymium
CID 139595444
calcium;but-2-enedioate;trihydrate
CID 74057853

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioate;chromium(3+);nitrate?
The IUPAC name of (E)-but-2-enedioate;chromium(3+);nitrate (CID 138394845) is (E)-but-2-enedioate;chromium(3+);nitrate.
What is the SMILES notation for (E)-but-2-enedioate;chromium(3+);nitrate?
The canonical SMILES for (E)-but-2-enedioate;chromium(3+);nitrate is O=C([O-])/C=C\C(=O)[O-].O=[N+]([O-])[O-].[Cr+3].
What is the InChIKey of (E)-but-2-enedioate;chromium(3+);nitrate?
The InChIKey is IFEAFZNULQCEHN-UAIGNFCESA-L. The full InChI is InChI=1S/C4H4O4.Cr.NO3/c5-3(6)1-2-4(7)8;;2-1(3)4/h1-2H,(H,5,6)(H,7,8);;/q;+3;-1/p-2/b2-1-;;.
What are the key properties of (E)-but-2-enedioate;chromium(3+);nitrate?
(E)-but-2-enedioate;chromium(3+);nitrate has a molecular weight of 228.06 g/mol, XLogP of -3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioate;chromium(3+);nitrate is sourced from PubChem (CID 138394845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).