CID 90813697

C4H7O4P — CID 90813697

IUPAC—
SMILESCC(CP(=O)=O)C(=O)O
InChIInChI=1S/C4H7O4P/c1-3(4(5)6)2-9(7)8/h3H,2H2,1H3,(H,5,6)
InChIKeyGIPNLKTVTVZSSU-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.88
Rot. Bonds3

About CID 90813697

CID 90813697 (PubChem CID 90813697) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol.

Molecular Properties

Compound NameCID 90813697
PubChem CID90813697
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name—
SMILESCC(CP(=O)=O)C(=O)O
InChIInChI=1S/C4H7O4P/c1-3(4(5)6)2-9(7)8/h3H,2H2,1H3,(H,5,6)
InChIKeyGIPNLKTVTVZSSU-UHFFFAOYSA-N
XLogP0.88
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90813697?
The IUPAC name of CID 90813697 (CID 90813697) is not available.
What is the SMILES notation for CID 90813697?
The canonical SMILES for CID 90813697 is CC(CP(=O)=O)C(=O)O.
What is the InChIKey of CID 90813697?
The InChIKey is GIPNLKTVTVZSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c1-3(4(5)6)2-9(7)8/h3H,2H2,1H3,(H,5,6).
What are the key properties of CID 90813697?
CID 90813697 has a molecular weight of 150.07 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90813697 is sourced from PubChem (CID 90813697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).