Basic information
- CAS
36929-35-8- Standard SMILES
N#CC1OC12CCCC2- InChIKey
GFCYZQVCDGGQOP-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Names & identifiers
- Preferred name
- 1-Oxaspiro(2.4)heptane-2-carbonitrile
- IUPAC
- 1-oxaspiro[2.4]heptane-2-carbonitrile
- English name
- 1-Oxaspiro[2.4]heptane-2-carbonitrile(6CI,9CI)
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
1-Oxaspiro[2.4]heptane-2-carbonitrile36929-35-8DTXSID003384111-Oxaspiro(2.4)heptane-2-carbonitrileRefChem:232751DTXCID20289496GFCYZQVCDGGQOP-UHFFFAOYSA-NSCHEMBL978499AKOS0062738621-Oxa-spiro[2.4]heptane-2-carbonitrileDB-329009CS-0271645
Show more names
1-Oxaspiro[2.4]heptane-2-carbonitrile(6CI,9CI)
EN300-154940F1915-8800
Database identifiers
- CAS
36929-35-8- PubChem CID
- 548974
- DTXSID
DTXSID00338411- Nikkaji
- J293.110I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 95 · 95-97 °C(Press: 19 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
4 records
Compound notes
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