CID 12844421

C3H5O2P — CID 12844421

IUPAC—
SMILESC=CCP(=O)=O
InChIInChI=1S/C3H5O2P/c1-2-3-6(4)5/h2H,1,3H2
InChIKeyVPYWTEZKVFVRMC-UHFFFAOYSA-N
MW104.05 g/mol
LogP1.35
Rot. Bonds2

About CID 12844421

CID 12844421 (PubChem CID 12844421) has the molecular formula C3H5O2P and a molecular weight of 104.05 g/mol.

Molecular Properties

Compound NameCID 12844421
PubChem CID12844421
Molecular FormulaC3H5O2P
Molecular Weight104.05 g/mol
Exact Mass104.00
IUPAC Name—
SMILESC=CCP(=O)=O
InChIInChI=1S/C3H5O2P/c1-2-3-6(4)5/h2H,1,3H2
InChIKeyVPYWTEZKVFVRMC-UHFFFAOYSA-N
XLogP1.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.05
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

palladium;tetrakis(tris(prop-2-enyl)phosphane)
CID 173355733
indigane;tris(prop-2-enyl)phosphane
CID 173012611
tris(prop-2-enyl)phosphane;hydrate
CID 173137967
CID 87126920
CID 87126920
ethynyl-bis(prop-2-enyl)phosphane
CID 87877973
ethenone;prop-2-en-1-amine
CID 173182769
isocyanic acid;3-prop-2-enoxyprop-1-ene
CID 88728289
bis(1-adamantyl)-prop-2-enylphosphane
CID 11633204
3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione
CID 15663700
but-3-enal;cobalt
CID 87178238
formic acid;hexa-1,5-diene
CID 174904293
CID 18417202
CID 18417202

Frequently Asked Questions

What is the IUPAC name of CID 12844421?
The IUPAC name of CID 12844421 (CID 12844421) is not available.
What is the SMILES notation for CID 12844421?
The canonical SMILES for CID 12844421 is C=CCP(=O)=O.
What is the InChIKey of CID 12844421?
The InChIKey is VPYWTEZKVFVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2P/c1-2-3-6(4)5/h2H,1,3H2.
What are the key properties of CID 12844421?
CID 12844421 has a molecular weight of 104.05 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12844421 is sourced from PubChem (CID 12844421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).