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Basic information
- CAS
95764-76-4- Standard SMILES
C=C(C)C#CC(O)CC- InChIKey
DUDZQARPXNGCOB-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 6-Methyl-6-hepten-4-yn-3-ol
- IUPAC
- 6-methylhept-6-en-4-yn-3-ol
- English name
- 6-METHYL-6-HEPTEN-4-YN-3-OL
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
6-Methyl-6-hepten-4-yn-3-ol95764-76-46-methylhept-6-en-4-yn-3-olMFCD00041590SCHEMBL8743249DTXSID60914816DUDZQARPXNGCOB-UHFFFAOYSA-NTIMTEC-BB SBB0090716-Hepten-4-yn-3-ol, 6-methyl-
Database identifiers
- CAS
95764-76-4- PubChem CID
- 145294
- DTXSID
DTXSID60914816
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 87 °C · 87°C 14mm
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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