(Z)-but-2-enedioic acid;oxalic acid

C6H6O8 — CID 87375640

IUPAC(Z)-but-2-enedioic acid;oxalic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C4H4O4.C2H2O4/c5-3(6)1-2-4(7)8;3-1(4)2(5)6/h1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b2-1-;
InChIKeyZKSGPMLZIPWJAF-ODZAUARKSA-N
MW206.11 g/mol
LogP-1.13
Rot. Bonds2

About (Z)-but-2-enedioic acid;oxalic acid

(Z)-but-2-enedioic acid;oxalic acid (PubChem CID 87375640) has the molecular formula C6H6O8 and a molecular weight of 206.11 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;oxalic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;oxalic acid
PubChem CID87375640
Molecular FormulaC6H6O8
Molecular Weight206.11 g/mol
Exact Mass206.01
IUPAC Name(Z)-but-2-enedioic acid;oxalic acid
SMILESO=C(O)/C=C\C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C4H4O4.C2H2O4/c5-3(6)1-2-4(7)8;3-1(4)2(5)6/h1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b2-1-;
InChIKeyZKSGPMLZIPWJAF-ODZAUARKSA-N
XLogP-1.13
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;oxalic acid
CID 159788115
heptadecakis((E)-but-2-enedioic acid);oxalic acid;hexahydrochloride
CID 174434275
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054
CID 76552400
CID 76552400
(Z)-but-2-enedioic acid;manganese
CID 87121555
(Z)-but-2-enedioic acid;gold
CID 174837134
but-2-enedioic acid;dihydrate
CID 76541248

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;oxalic acid?
The IUPAC name of (Z)-but-2-enedioic acid;oxalic acid (CID 87375640) is (Z)-but-2-enedioic acid;oxalic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;oxalic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;oxalic acid is O=C(O)/C=C\C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;oxalic acid?
The InChIKey is ZKSGPMLZIPWJAF-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C2H2O4/c5-3(6)1-2-4(7)8;3-1(4)2(5)6/h1-2H,(H,5,6)(H,7,8);(H,3,4)(H,5,6)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;oxalic acid?
(Z)-but-2-enedioic acid;oxalic acid has a molecular weight of 206.11 g/mol, XLogP of -1.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;oxalic acid is sourced from PubChem (CID 87375640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).