tritio prop-2-enoate

C3H4O2 — CID 140773337

IUPACtritio prop-2-enoate
SMILES[3H]OC(=O)C=C
InChIInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i/hT
InChIKeyNIXOWILDQLNWCW-MNYXATJNSA-N
MW74.07 g/mol
LogP0.26
Rot. Bonds1

About tritio prop-2-enoate

tritio prop-2-enoate (PubChem CID 140773337) has the molecular formula C3H4O2 and a molecular weight of 74.07 g/mol. Its IUPAC name is tritio prop-2-enoate.

Molecular Properties

Compound Nametritio prop-2-enoate
PubChem CID140773337
Molecular FormulaC3H4O2
Molecular Weight74.07 g/mol
Exact Mass74.03
IUPAC Nametritio prop-2-enoate
SMILES[3H]OC(=O)C=C
InChIInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i/hT
InChIKeyNIXOWILDQLNWCW-MNYXATJNSA-N
XLogP0.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.07
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
prop-2-enoic acid;hexahydrate
CID 172682107
azane;prop-2-enoic acid
CID 173158019
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;1,4-xylene
CID 67822281
methanol;prop-2-enoic acid
CID 159043362

Frequently Asked Questions

What is the IUPAC name of tritio prop-2-enoate?
The IUPAC name of tritio prop-2-enoate (CID 140773337) is tritio prop-2-enoate.
What is the SMILES notation for tritio prop-2-enoate?
The canonical SMILES for tritio prop-2-enoate is [3H]OC(=O)C=C.
What is the InChIKey of tritio prop-2-enoate?
The InChIKey is NIXOWILDQLNWCW-MNYXATJNSA-N. The full InChI is InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/i/hT.
What are the key properties of tritio prop-2-enoate?
tritio prop-2-enoate has a molecular weight of 74.07 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tritio prop-2-enoate is sourced from PubChem (CID 140773337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).