3,3,4,4,5,5-Hexadeuteriooxepan-2-one
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Basic information
- CAS
1219802-08-0- Standard SMILES
[2H]C1([2H])CCOC(=O)C([2H])([2H])C1([2H])[2H]- InChIKey
PAPBSGBWRJIAAV-JGTMQTSBSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 120.18 g/mol
Names & identifiers
- Preferred name
- 3,3,4,4,5,5-Hexadeuteriooxepan-2-one
- IUPAC
- 3,3,4,4,5,5-hexadeuteriooxepan-2-one
- English name
- e-Caprolactone--d6
- Molecular formula
- C6H4D6O2
- Molecular weight
- 120.179370668
Names & synonyms
e-Caprolactone--d61219802-08-03,3,4,4,5,5-hexadeuteriooxepan-2-one
Database identifiers
- CAS
1219802-08-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 88.5
Chemistry & industry
Applications
Usesepsilon-Caprolactone-3,3,4,4,5,5-d6 (CAS# 1219802-08-0) is a useful isotopically labeled research compound.
Related reactions
0 records
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Compound notes
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