ethene-1,2-diol;prop-2-enoic acid

C5H8O4 — CID 163501220

IUPACethene-1,2-diol;prop-2-enoic acid
SMILESC=CC(=O)O.OC=CO
InChIInChI=1S/C3H4O2.C2H4O2/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H,4,5);1-4H
InChIKeyCUXFIHVBFLMCSF-UHFFFAOYSA-N
MW132.12 g/mol
LogP0.83
Rot. Bonds1

About ethene-1,2-diol;prop-2-enoic acid

ethene-1,2-diol;prop-2-enoic acid (PubChem CID 163501220) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is ethene-1,2-diol;prop-2-enoic acid.

Molecular Properties

Compound Nameethene-1,2-diol;prop-2-enoic acid
PubChem CID163501220
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Nameethene-1,2-diol;prop-2-enoic acid
SMILESC=CC(=O)O.OC=CO
InChIInChI=1S/C3H4O2.C2H4O2/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H,4,5);1-4H
InChIKeyCUXFIHVBFLMCSF-UHFFFAOYSA-N
XLogP0.83
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

formic acid;bis(prop-2-enoic acid)
CID 88502966
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;pentahydrobromide
CID 172798031
acetylene;tetrakis(prop-2-enoic acid)
CID 159667354

Frequently Asked Questions

What is the IUPAC name of ethene-1,2-diol;prop-2-enoic acid?
The IUPAC name of ethene-1,2-diol;prop-2-enoic acid (CID 163501220) is ethene-1,2-diol;prop-2-enoic acid.
What is the SMILES notation for ethene-1,2-diol;prop-2-enoic acid?
The canonical SMILES for ethene-1,2-diol;prop-2-enoic acid is C=CC(=O)O.OC=CO.
What is the InChIKey of ethene-1,2-diol;prop-2-enoic acid?
The InChIKey is CUXFIHVBFLMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H4O2/c1-2-3(4)5;3-1-2-4/h2H,1H2,(H,4,5);1-4H.
What are the key properties of ethene-1,2-diol;prop-2-enoic acid?
ethene-1,2-diol;prop-2-enoic acid has a molecular weight of 132.12 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene-1,2-diol;prop-2-enoic acid is sourced from PubChem (CID 163501220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).