2-hydroxyprop-2-enoic acid;oxolane

C7H12O4 — CID 174891216

IUPAC2-hydroxyprop-2-enoic acid;oxolane
SMILESC1CCOC1.C=C(O)C(=O)O
InChIInChI=1S/C4H8O.C3H4O3/c1-2-4-5-3-1;1-2(4)3(5)6/h1-4H2;4H,1H2,(H,5,6)
InChIKeyCSZQDIWAXPUBPS-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.94
Rot. Bonds1

About 2-hydroxyprop-2-enoic acid;oxolane

2-hydroxyprop-2-enoic acid;oxolane (PubChem CID 174891216) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-hydroxyprop-2-enoic acid;oxolane.

Molecular Properties

Compound Name2-hydroxyprop-2-enoic acid;oxolane
PubChem CID174891216
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-hydroxyprop-2-enoic acid;oxolane
SMILESC1CCOC1.C=C(O)C(=O)O
InChIInChI=1S/C4H8O.C3H4O3/c1-2-4-5-3-1;1-2(4)3(5)6/h1-4H2;4H,1H2,(H,5,6)
InChIKeyCSZQDIWAXPUBPS-UHFFFAOYSA-N
XLogP0.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
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

carbonic acid;oxolane
CID 68584797
carbonic acid;oxane
CID 70293219
2-methylprop-2-enoic acid;oxolane;prop-2-enoic acid
CID 174765174
formaldehyde;oxolane
CID 174849713
butanedioic acid;oxolane
CID 70210247
carbonochloridic acid;oxane
CID 86597623
oxolane;propan-2-one
CID 22559816
1,4-dioxane;oxalic acid
CID 160983598
azane;2-hydroxyprop-2-enoic acid
CID 158386305
oxolane;propanoic acid
CID 162183532
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enoic acid;oxolane?
The IUPAC name of 2-hydroxyprop-2-enoic acid;oxolane (CID 174891216) is 2-hydroxyprop-2-enoic acid;oxolane.
What is the SMILES notation for 2-hydroxyprop-2-enoic acid;oxolane?
The canonical SMILES for 2-hydroxyprop-2-enoic acid;oxolane is C1CCOC1.C=C(O)C(=O)O.
What is the InChIKey of 2-hydroxyprop-2-enoic acid;oxolane?
The InChIKey is CSZQDIWAXPUBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H4O3/c1-2-4-5-3-1;1-2(4)3(5)6/h1-4H2;4H,1H2,(H,5,6).
What are the key properties of 2-hydroxyprop-2-enoic acid;oxolane?
2-hydroxyprop-2-enoic acid;oxolane has a molecular weight of 160.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enoic acid;oxolane is sourced from PubChem (CID 174891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).