2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid

C6H8O6 — CID 161085591

IUPAC2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid
SMILESC=C(O)C(=O)O.C=CC(=O)OO
InChIInChI=1S/2C3H4O3/c1-2-3(4)6-5;1-2(4)3(5)6/h2,5H,1H2;4H,1H2,(H,5,6)
InChIKeyUGLUMFBNJNSALW-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.33
Rot. Bonds2

About 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid

2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid (PubChem CID 161085591) has the molecular formula C6H8O6 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid.

Molecular Properties

Compound Name2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid
PubChem CID161085591
Molecular FormulaC6H8O6
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid
SMILESC=C(O)C(=O)O.C=CC(=O)OO
InChIInChI=1S/2C3H4O3/c1-2-3(4)6-5;1-2(4)3(5)6/h2,5H,1H2;4H,1H2,(H,5,6)
InChIKeyUGLUMFBNJNSALW-UHFFFAOYSA-N
XLogP0.33
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-eneperoxoic acid;prop-2-enoic acid
CID 18459501
2-prop-2-enoyloxyprop-2-enoic acid
CID 57160830
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
phthalic acid;prop-2-eneperoxoic acid
CID 159200094
azane;2-hydroxyprop-2-enoic acid
CID 158386305
azane;2-methylidenebut-3-enoic acid
CID 88748987
1,2,2-trihydroxyethenyl prop-2-enoate
CID 140527484
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyprop-2-enoic acid
CID 87530840
tris(prop-2-enoic acid);silyloxysilane
CID 175696616
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid?
The IUPAC name of 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid (CID 161085591) is 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid.
What is the SMILES notation for 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid?
The canonical SMILES for 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid is C=C(O)C(=O)O.C=CC(=O)OO.
What is the InChIKey of 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid?
The InChIKey is UGLUMFBNJNSALW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O3/c1-2-3(4)6-5;1-2(4)3(5)6/h2,5H,1H2;4H,1H2,(H,5,6).
What are the key properties of 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid?
2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid has a molecular weight of 176.12 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enoic acid;prop-2-eneperoxoic acid is sourced from PubChem (CID 161085591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).