Basic information
- CAS
1246213-37-5- Standard SMILES
COC(=O)Oc1ccc(C(C)(C)C)cc1C(C)(C)C#N- InChIKey
RRAKPSYPUXWVED-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- 4-(tert-Butyl)-2-(2-cyanopropan-2-yl)phenyl methyl carbonate
- IUPAC
- [4-tert-butyl-2-(2-cyanopropan-2-yl)phenyl] methyl carbonate
- English name
- Carbonic acid, 2-(1-cyano-1-Methylethyl)-4-(1,1-diMethylethyl)phenyl Methyl ester
- Molecular formula
- C16H21NO3
- Molecular weight
- 275.34
Names & synonyms
1246213-37-54-(tert-Butyl)-2-(2-cyanopropan-2-yl)phenyl methyl carbonate4-tert-butyl-2-(2-cyanopropan-2-yl)phenyl methyl carbonate[4-tert-butyl-2-(2-cyanopropan-2-yl)phenyl] methyl carbonateRRAKPSYPUXWVED-UHFFFAOYSA-NSCHEMBL376873DTXSID80732337Carbonic acid, 2-(1-cyano-1-Methylethyl)-4-(1,1-diMethylethyl)phenyl Methyl ester
Database identifiers
- CAS
1246213-37-5- PubChem CID
- 59544146
- DTXSID
DTXSID80732337
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Chemistry & industry
Suppliers2 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
13 records
Compound notes
Loading…