methanol;phosphoric acid;propan-2-one

C4H13O6P — CID 134563724

IUPACmethanol;phosphoric acid;propan-2-one
SMILESCC(C)=O.CO.O=P(O)(O)O
InChIInChI=1S/C3H6O.CH4O.H3O4P/c1-3(2)4;1-2;1-5(2,3)4/h1-2H3;2H,1H3;(H3,1,2,3,4)
InChIKeyHHVXTSGXNCJNHY-UHFFFAOYSA-N
MW188.12 g/mol
LogP-0.72
Rot. Bonds

About methanol;phosphoric acid;propan-2-one

methanol;phosphoric acid;propan-2-one (PubChem CID 134563724) has the molecular formula C4H13O6P and a molecular weight of 188.12 g/mol. Its IUPAC name is methanol;phosphoric acid;propan-2-one.

Molecular Properties

Compound Namemethanol;phosphoric acid;propan-2-one
PubChem CID134563724
Molecular FormulaC4H13O6P
Molecular Weight188.12 g/mol
Exact Mass188.04
IUPAC Namemethanol;phosphoric acid;propan-2-one
SMILESCC(C)=O.CO.O=P(O)(O)O
InChIInChI=1S/C3H6O.CH4O.H3O4P/c1-3(2)4;1-2;1-5(2,3)4/h1-2H3;2H,1H3;(H3,1,2,3,4)
InChIKeyHHVXTSGXNCJNHY-UHFFFAOYSA-N
XLogP-0.72
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 86590524
N-methylacetamide;phosphoric acid
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Frequently Asked Questions

What is the IUPAC name of methanol;phosphoric acid;propan-2-one?
The IUPAC name of methanol;phosphoric acid;propan-2-one (CID 134563724) is methanol;phosphoric acid;propan-2-one.
What is the SMILES notation for methanol;phosphoric acid;propan-2-one?
The canonical SMILES for methanol;phosphoric acid;propan-2-one is CC(C)=O.CO.O=P(O)(O)O.
What is the InChIKey of methanol;phosphoric acid;propan-2-one?
The InChIKey is HHVXTSGXNCJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.CH4O.H3O4P/c1-3(2)4;1-2;1-5(2,3)4/h1-2H3;2H,1H3;(H3,1,2,3,4).
What are the key properties of methanol;phosphoric acid;propan-2-one?
methanol;phosphoric acid;propan-2-one has a molecular weight of 188.12 g/mol, XLogP of -0.72, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;phosphoric acid;propan-2-one is sourced from PubChem (CID 134563724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).