(Z)-but-2-enedioic acid;formic acid;sulfuric acid

C5H8O10S — CID 174323029

IUPAC(Z)-but-2-enedioic acid;formic acid;sulfuric acid
SMILESO=C(O)/C=C\C(=O)O.O=CO.O=S(=O)(O)O
InChIInChI=1S/C4H4O4.CH2O2.H2O4S/c5-3(6)1-2-4(7)8;2-1-3;1-5(2,3)4/h1-2H,(H,5,6)(H,7,8);1H,(H,2,3);(H2,1,2,3,4)/b2-1-;;
InChIKeyWEMMBLCPNMSZQE-UAIGNFCESA-N
MW260.18 g/mol
LogP-1.24
Rot. Bonds2

About (Z)-but-2-enedioic acid;formic acid;sulfuric acid

(Z)-but-2-enedioic acid;formic acid;sulfuric acid (PubChem CID 174323029) has the molecular formula C5H8O10S and a molecular weight of 260.18 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;formic acid;sulfuric acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;formic acid;sulfuric acid
PubChem CID174323029
Molecular FormulaC5H8O10S
Molecular Weight260.18 g/mol
Exact Mass259.98
IUPAC Name(Z)-but-2-enedioic acid;formic acid;sulfuric acid
SMILESO=C(O)/C=C\C(=O)O.O=CO.O=S(=O)(O)O
InChIInChI=1S/C4H4O4.CH2O2.H2O4S/c5-3(6)1-2-4(7)8;2-1-3;1-5(2,3)4/h1-2H,(H,5,6)(H,7,8);1H,(H,2,3);(H2,1,2,3,4)/b2-1-;;
InChIKeyWEMMBLCPNMSZQE-UAIGNFCESA-N
XLogP-1.24
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;formic acid
CID 87892293
sodium;(E)-but-2-enedioic acid;hydride;iron;sulfuric acid
CID 173172385
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
(Z)-but-2-enedioic acid;neodymium
CID 87072249
(Z)-but-2-enedioic acid;silver
CID 11002022
(Z)-but-2-enedioic acid;hydrate
CID 86620054
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
tris(but-2-enedioic acid);hydrate
CID 173409563

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;formic acid;sulfuric acid?
The IUPAC name of (Z)-but-2-enedioic acid;formic acid;sulfuric acid (CID 174323029) is (Z)-but-2-enedioic acid;formic acid;sulfuric acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;formic acid;sulfuric acid?
The canonical SMILES for (Z)-but-2-enedioic acid;formic acid;sulfuric acid is O=C(O)/C=C\C(=O)O.O=CO.O=S(=O)(O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;formic acid;sulfuric acid?
The InChIKey is WEMMBLCPNMSZQE-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.CH2O2.H2O4S/c5-3(6)1-2-4(7)8;2-1-3;1-5(2,3)4/h1-2H,(H,5,6)(H,7,8);1H,(H,2,3);(H2,1,2,3,4)/b2-1-;;.
What are the key properties of (Z)-but-2-enedioic acid;formic acid;sulfuric acid?
(Z)-but-2-enedioic acid;formic acid;sulfuric acid has a molecular weight of 260.18 g/mol, XLogP of -1.24, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;formic acid;sulfuric acid is sourced from PubChem (CID 174323029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).