Metabolite Formic acid
- Name
- Formic acid
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 46.0254
Monoisotopic: 46.005479308 - Chemical Formula
- CH2O2
- InChI Key
- BDAGIHXWWSANSR-UHFFFAOYSA-N
- InChI
- InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
- IUPAC Name
- formic acid
- SMILES
- OC=O
- Reactions
- Fospropofol Formic acid
- Lactulose Acetic acid, Formic acid, and Lactic acid
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 111.74964 predictedDeepCCS 1.0 (2019) [M-H]- 111.74964 predictedDeepCCS 1.0 (2019) [M+H]+ 113.581894 predictedDeepCCS 1.0 (2019) [M+H]+ 113.581894 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.819695 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.819695 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0000142
- KEGG Compound
- C00058
- ChemSpider
- 278
- ChEBI
- 30751
- ChEMBL
- CHEMBL116736
- PharmGKB
- PA449705
- PDBe Ligand
- FMT
- Wikipedia
- Formic_acid
- Predicted Properties
Property Value Source Water Solubility 477.0 mg/mL ALOGPS logP -0.47 ALOGPS logP -0.27 Chemaxon logS 1.02 ALOGPS pKa (Strongest Acidic) 4.27 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 37.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 8.15 m3·mol-1 Chemaxon Polarizability 3.37 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon