Basic information
- CAS
169297-54-5- Standard SMILES
[2H]C([2H])(NC(=O)c1ccccc1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O- InChIKey
LFCIOBCYMAQQBT-VHPHYHOGSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 245.34 g/mol
- Monoisotopic mass
- 245.18361086
Names & identifiers
- Preferred name
- 6-Benzamido(~2~H_10_)hexanoic acid
- IUPAC
- 6-benzamido-2,2,3,3,4,4,5,5,6,6-decadeuteriohexanoic acid
Names & synonyms
DTXSID5011998576-Benzamido(~2~H_10_)hexanoic acidHexanoic-2,2,3,3,4,4,5,5,6,6-d10 acid, 6-(benzoylamino)-169297-54-5
Database identifiers
- CAS
169297-54-5- PubChem CID
- 165354580
- DTXSID
DTXSID501199857
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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