Basic information
- CAS
5336-74-3- Standard SMILES
CCCC(=O)CC(=O)CC(C)C- InChIKey
DDCLOUWVUPDZCM-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 2-Methylnonane-4,6-dione
- IUPAC
- 2-methylnonane-4,6-dione
- English name
- 2-methylnonane-4,6-dione
- Molecular formula
- C10H18O2
- Molecular weight
- 170.24872
Names & synonyms
2-Methylnonane-4,6-dione5336-74-32-METHYL-4,6-NONANEDIONE6B2YN5MKP44,6-Nonanedione, 2-methyl-AI3-19321NSC-365NSC365EINECS 226-258-6UNII-6B2YN5MKP4SCHEMBL1948119DTXSID70201522
Show more names
NSC 365DDCLOUWVUPDZCM-UHFFFAOYSA-NNS00032732
Database identifiers
- CAS
5336-74-3- PubChem CID
- 79261
- DTXSID
DTXSID70201522- UNII
- 6B2YN5MKP4
- EC Number
- 226-258-6
- Nikkaji
- J217.898B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- FDA UNII
- 6 B2YN5MKP4 · 6B2YN5MKP4
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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