2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)

C9H12O7 — CID 87459377

IUPAC2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
SMILESC=C(O)C(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C3H4O3.2C3H4O2/c1-2(4)3(5)6;2*1-2-3(4)5/h4H,1H2,(H,5,6);2*2H,1H2,(H,4,5)
InChIKeyHQDZHMMYDFPMFU-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.66
Rot. Bonds3

About 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)

2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) (PubChem CID 87459377) has the molecular formula C9H12O7 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid).

Molecular Properties

Compound Name2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
PubChem CID87459377
Molecular FormulaC9H12O7
Molecular Weight232.19 g/mol
Exact Mass232.06
IUPAC Name2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
SMILESC=C(O)C(=O)O.C=CC(=O)O.C=CC(=O)O
InChIInChI=1S/C3H4O3.2C3H4O2/c1-2(4)3(5)6;2*1-2-3(4)5/h4H,1H2,(H,5,6);2*2H,1H2,(H,4,5)
InChIKeyHQDZHMMYDFPMFU-UHFFFAOYSA-N
XLogP0.66
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.66
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'}

Analyze 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
azane;prop-2-enoic acid
CID 173158019
prop-2-enoic acid;hexahydrate
CID 172682107
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;2-silylprop-2-enoic acid
CID 160581916
tris(prop-2-enoic acid);silyloxysilane
CID 175696616

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The IUPAC name of 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) (CID 87459377) is 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid).
What is the SMILES notation for 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The canonical SMILES for 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) is C=C(O)C(=O)O.C=CC(=O)O.C=CC(=O)O.
What is the InChIKey of 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)?
The InChIKey is HQDZHMMYDFPMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.2C3H4O2/c1-2(4)3(5)6;2*1-2-3(4)5/h4H,1H2,(H,5,6);2*2H,1H2,(H,4,5).
What are the key properties of 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)?
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) has a molecular weight of 232.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid) is sourced from PubChem (CID 87459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).