3-Methyloxazinane-6-carboxylic acid
Basic information
- CAS
89531-59-9- Standard SMILES
CC1CCC(C(=O)O)ON1- InChIKey
KEHBVCPTVFVROY-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.07389321
Names & identifiers
- Preferred name
- 3-Methyloxazinane-6-carboxylic acid
- IUPAC
- 3-methyloxazinane-6-carboxylic acid
Names & synonyms
3-methyloxazinane-6-carboxylic acid89531-59-9NSC173129DTXSID10305997NSC-1731293-Methyl-1,2-oxazinane-6-carboxylic acid
Database identifiers
- CAS
89531-59-9- PubChem CID
- 299803
- DTXSID
DTXSID10305997
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 137
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Compound notes
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