CID 87075716

C4H7O4P — CID 87075716

IUPAC—
SMILESCC(O)C(=O)CP(=O)=O
InChIInChI=1S/C4H7O4P/c1-3(5)4(6)2-9(7)8/h3,5H,2H2,1H3
InChIKeyCKCLOBQPKLEYCS-UHFFFAOYSA-N
MW150.07 g/mol
LogP0.11
Rot. Bonds3

About CID 87075716

CID 87075716 (PubChem CID 87075716) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol.

Molecular Properties

Compound NameCID 87075716
PubChem CID87075716
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name—
SMILESCC(O)C(=O)CP(=O)=O
InChIInChI=1S/C4H7O4P/c1-3(5)4(6)2-9(7)8/h3,5H,2H2,1H3
InChIKeyCKCLOBQPKLEYCS-UHFFFAOYSA-N
XLogP0.11
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2-hydroxypentan-3-one
CID 174710122
CID 59233637
CID 59233637
4-hydroxy-1-(oxiran-2-yl)pentane-1,3-dione
CID 88558330
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
2-hydroxypropanoic acid
CID 87075455
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174
2-hydroxyicosan-3-one
CID 57023276
6,6,6-trifluoro-2-hydroxyhexan-3-one
CID 103451387
N,4-dihydroxy-N-methyl-3-oxopentanamide
CID 20659480
(1,5-dihydroxy-4-oxohexan-2-yl) acetate
CID 91459137
3,6-dihydroxy-3-methylheptane-2,5-dione
CID 91126378

Frequently Asked Questions

What is the IUPAC name of CID 87075716?
The IUPAC name of CID 87075716 (CID 87075716) is not available.
What is the SMILES notation for CID 87075716?
The canonical SMILES for CID 87075716 is CC(O)C(=O)CP(=O)=O.
What is the InChIKey of CID 87075716?
The InChIKey is CKCLOBQPKLEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c1-3(5)4(6)2-9(7)8/h3,5H,2H2,1H3.
What are the key properties of CID 87075716?
CID 87075716 has a molecular weight of 150.07 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87075716 is sourced from PubChem (CID 87075716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).