ethenol;prop-2-enoic acid;sulfuric acid

C5H10O7S — CID 87814043

IUPACethenol;prop-2-enoic acid;sulfuric acid
SMILESC=CC(=O)O.C=CO.O=S(=O)(O)O
InChIInChI=1S/C3H4O2.C2H4O.H2O4S/c1-2-3(4)5;1-2-3;1-5(2,3)4/h2H,1H2,(H,4,5);2-3H,1H2;(H2,1,2,3,4)
InChIKeyFLZKETYSKVKEIL-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.29
Rot. Bonds1

About ethenol;prop-2-enoic acid;sulfuric acid

ethenol;prop-2-enoic acid;sulfuric acid (PubChem CID 87814043) has the molecular formula C5H10O7S and a molecular weight of 214.19 g/mol. Its IUPAC name is ethenol;prop-2-enoic acid;sulfuric acid.

Molecular Properties

Compound Nameethenol;prop-2-enoic acid;sulfuric acid
PubChem CID87814043
Molecular FormulaC5H10O7S
Molecular Weight214.19 g/mol
Exact Mass214.01
IUPAC Nameethenol;prop-2-enoic acid;sulfuric acid
SMILESC=CC(=O)O.C=CO.O=S(=O)(O)O
InChIInChI=1S/C3H4O2.C2H4O.H2O4S/c1-2-3(4)5;1-2-3;1-5(2,3)4/h2H,1H2,(H,4,5);2-3H,1H2;(H2,1,2,3,4)
InChIKeyFLZKETYSKVKEIL-UHFFFAOYSA-N
XLogP0.29
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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

methanesulfonic acid;prop-2-enoic acid
CID 87706639
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
ethene-1,2-diol;prop-2-enoic acid
CID 163501220
formic acid;bis(prop-2-enoic acid)
CID 88502966
disilver;bis(prop-2-enoic acid);bromide;chloride
CID 173437465
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;hydrochloride
CID 22354205
CID 87061462
CID 87061462
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of ethenol;prop-2-enoic acid;sulfuric acid?
The IUPAC name of ethenol;prop-2-enoic acid;sulfuric acid (CID 87814043) is ethenol;prop-2-enoic acid;sulfuric acid.
What is the SMILES notation for ethenol;prop-2-enoic acid;sulfuric acid?
The canonical SMILES for ethenol;prop-2-enoic acid;sulfuric acid is C=CC(=O)O.C=CO.O=S(=O)(O)O.
What is the InChIKey of ethenol;prop-2-enoic acid;sulfuric acid?
The InChIKey is FLZKETYSKVKEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.C2H4O.H2O4S/c1-2-3(4)5;1-2-3;1-5(2,3)4/h2H,1H2,(H,4,5);2-3H,1H2;(H2,1,2,3,4).
What are the key properties of ethenol;prop-2-enoic acid;sulfuric acid?
ethenol;prop-2-enoic acid;sulfuric acid has a molecular weight of 214.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;prop-2-enoic acid;sulfuric acid is sourced from PubChem (CID 87814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).