Basic information
- CAS
712353-85-0- Standard SMILES
CC1COC(C(=O)O)OC1- InChIKey
FWNLNOGJCQWZDE-UHFFFAOYSA-N- Molecular formula
- C6H10O4
- Average molar mass
- 146.14 g/mol
- Monoisotopic mass
- 146.0579088
Names & identifiers
- Preferred name
- 5-Methyl-1,3-dioxane-2-carboxylic acid
- IUPAC
- 5-methyl-1,3-dioxane-2-carboxylic acid
- English name
- 1,3-Dioxane-2-carboxylicacid,5-methyl-(9CI)
- Molecular formula
- C6H10O4
- Molecular weight
- 146.14
Names & synonyms
5-Methyl-1,3-dioxane-2-carboxylic acid712353-85-0SCHEMBL2881231DTXSID40665652FWNLNOGJCQWZDE-UHFFFAOYSA-NAKOS0063852535-methyl-[1,3]dioxane-2-carboxylic acid1,3-Dioxane-2-carboxylic acid, 5-methyl-1,3-Dioxane-2-carboxylicacid,5-methyl-(9CI)
Database identifiers
- CAS
712353-85-0- PubChem CID
- 45084656
- DTXSID
DTXSID40665652
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
4 records
Compound notes
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