(Z)-but-2-enedioate;hydron

C4H4O4 — CID 173000668

IUPAC(Z)-but-2-enedioate;hydron
SMILESO=C([O-])/C=C\C(=O)[O-].[H+].[H+]
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChIKeyVZCYOOQTPOCHFL-UPHRSURJSA-N
MW116.07 g/mol
LogP-2.73
Rot. Bonds2

About (Z)-but-2-enedioate;hydron

(Z)-but-2-enedioate;hydron (PubChem CID 173000668) has the molecular formula C4H4O4 and a molecular weight of 116.07 g/mol. Its IUPAC name is (Z)-but-2-enedioate;hydron.

Molecular Properties

Compound Name(Z)-but-2-enedioate;hydron
PubChem CID173000668
Molecular FormulaC4H4O4
Molecular Weight116.07 g/mol
Exact Mass116.01
IUPAC Name(Z)-but-2-enedioate;hydron
SMILESO=C([O-])/C=C\C(=O)[O-].[H+].[H+]
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
InChIKeyVZCYOOQTPOCHFL-UPHRSURJSA-N
XLogP-2.73
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-2.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Maleic Acid
CID 444266
Fumaric Acid
CID 444972
Fumarate
CID 5460307
Ferrous Fumarate
CID 6433164
Maleic acid, disodium salt
CID 6364608
Maleate(2-)
CID 5288227
Zinc acrylate
CID 159747
2-Butenedioic acid
CID 723
Disodium Fumarate
CID 6364607
2-propenoic acid, lead(2+) salt
CID 10308916
CID 21883788
CID 21883788
Magnesium acrylate
CID 165336

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioate;hydron?
The IUPAC name of (Z)-but-2-enedioate;hydron (CID 173000668) is (Z)-but-2-enedioate;hydron.
What is the SMILES notation for (Z)-but-2-enedioate;hydron?
The canonical SMILES for (Z)-but-2-enedioate;hydron is O=C([O-])/C=C\C(=O)[O-].[H+].[H+].
What is the InChIKey of (Z)-but-2-enedioate;hydron?
The InChIKey is VZCYOOQTPOCHFL-UPHRSURJSA-N. The full InChI is InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-.
What are the key properties of (Z)-but-2-enedioate;hydron?
(Z)-but-2-enedioate;hydron has a molecular weight of 116.07 g/mol, XLogP of -2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioate;hydron is sourced from PubChem (CID 173000668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).