methanol formate

C2H5O3- — CID 22643996

IUPACmethanol formate
SMILESCO.O=C[O-]
InChIInChI=1S/CH2O2.CH4O/c2-1-3;1-2/h1H,(H,2,3);2H,1H3/p-1
InChIKeySVWLIIFHXFGESG-UHFFFAOYSA-M
MW77.06 g/mol
LogP-2.03
Rot. Bonds

About methanol formate

methanol formate (PubChem CID 22643996) has the molecular formula C2H5O3- and a molecular weight of 77.06 g/mol. Its IUPAC name is methanol formate.

Molecular Properties

Compound Namemethanol formate
PubChem CID22643996
Molecular FormulaC2H5O3-
Molecular Weight77.06 g/mol
Exact Mass77.02
IUPAC Namemethanol formate
SMILESCO.O=C[O-]
InChIInChI=1S/CH2O2.CH4O/c2-1-3;1-2/h1H,(H,2,3);2H,1H3/p-1
InChIKeySVWLIIFHXFGESG-UHFFFAOYSA-M
XLogP-2.03
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.06
LogP ≤ 5-2.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol formate?
The IUPAC name of methanol formate (CID 22643996) is methanol formate.
What is the SMILES notation for methanol formate?
The canonical SMILES for methanol formate is CO.O=C[O-].
What is the InChIKey of methanol formate?
The InChIKey is SVWLIIFHXFGESG-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2O2.CH4O/c2-1-3;1-2/h1H,(H,2,3);2H,1H3/p-1.
What are the key properties of methanol formate?
methanol formate has a molecular weight of 77.06 g/mol, XLogP of -2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol formate is sourced from PubChem (CID 22643996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).