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

C7H10O6 — CID 88502966

IUPACformic acid;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.O=CO
InChIInChI=1S/2C3H4O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H,1H2,(H,4,5);1H,(H,2,3)
InChIKeyPAQWTXSUMPLMFR-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.21
Rot. Bonds2

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

formic acid;bis(prop-2-enoic acid) (PubChem CID 88502966) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is formic acid;bis(prop-2-enoic acid).

Molecular Properties

Compound Nameformic acid;bis(prop-2-enoic acid)
PubChem CID88502966
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Nameformic acid;bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.O=CO
InChIInChI=1S/2C3H4O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H,1H2,(H,4,5);1H,(H,2,3)
InChIKeyPAQWTXSUMPLMFR-UHFFFAOYSA-N
XLogP0.21
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene-1,2-diol;prop-2-enoic acid
CID 163501220
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;hydrochloride
CID 22354205
bis(prop-2-enoic acid);hydrochloride
CID 88811054
cerium;bis(prop-2-enoic acid)
CID 169316659
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
Acrylic acid potassium salt
CID 87124626
formamide;prop-2-enoic acid
CID 23373282

Frequently Asked Questions

What is the IUPAC name of formic acid;bis(prop-2-enoic acid)?
The IUPAC name of formic acid;bis(prop-2-enoic acid) (CID 88502966) is formic acid;bis(prop-2-enoic acid).
What is the SMILES notation for formic acid;bis(prop-2-enoic acid)?
The canonical SMILES for formic acid;bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.O=CO.
What is the InChIKey of formic acid;bis(prop-2-enoic acid)?
The InChIKey is PAQWTXSUMPLMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4O2.CH2O2/c2*1-2-3(4)5;2-1-3/h2*2H,1H2,(H,4,5);1H,(H,2,3).
What are the key properties of formic acid;bis(prop-2-enoic acid)?
formic acid;bis(prop-2-enoic acid) has a molecular weight of 190.15 g/mol, XLogP of 0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;bis(prop-2-enoic acid) is sourced from PubChem (CID 88502966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).