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

C7H10O6 — CID 88602405

IUPAC(Z)-but-2-enedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C3H6O2/c5-3(6)1-2-4(7)8;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H,4,5)/b2-1-;
InChIKeyDSMFFOSDNKPHJP-ODZAUARKSA-N
MW190.15 g/mol
LogP0.19
Rot. Bonds3

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

(Z)-but-2-enedioic acid;propanoic acid (PubChem CID 88602405) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;propanoic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;propanoic acid
PubChem CID88602405
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(Z)-but-2-enedioic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C3H6O2/c5-3(6)1-2-4(7)8;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H,4,5)/b2-1-;
InChIKeyDSMFFOSDNKPHJP-ODZAUARKSA-N
XLogP0.19
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioic acid;ethanamine
CID 173189224
acetic acid;cobalt;propanoic acid
CID 173406712
CID 87066971
CID 87066971
propanoic acid;hydrate
CID 57432895
propanoic acid;yttrium
CID 59015039
mercury(2+);propanoic acid
CID 23623813
nickel;propanoic acid
CID 54601332
alumane;propanoic acid
CID 173234599
propanoic acid;dihydrochloride
CID 87391840
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887
indigane;propanoic acid
CID 173208103

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;propanoic acid?
The IUPAC name of (Z)-but-2-enedioic acid;propanoic acid (CID 88602405) is (Z)-but-2-enedioic acid;propanoic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;propanoic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;propanoic acid is CCC(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;propanoic acid?
The InChIKey is DSMFFOSDNKPHJP-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.C3H6O2/c5-3(6)1-2-4(7)8;1-2-3(4)5/h1-2H,(H,5,6)(H,7,8);2H2,1H3,(H,4,5)/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;propanoic acid?
(Z)-but-2-enedioic acid;propanoic acid has a molecular weight of 190.15 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;propanoic acid is sourced from PubChem (CID 88602405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).