Basic information
- CAS
4824-76-4- Standard SMILES
CCCCOC(=O)Oc1ccccc1- InChIKey
CMIUEWSUNAYXCG-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Carbonic acid, butyl phenyl ester
- IUPAC
- butyl phenyl carbonate
- English name
- Carbonic acid=butyl=phenyl ester
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4824-76-4Carbonic acid, butyl phenyl esterDTXSID60880906RefChem:333372DTXCID201022249Butyl phenyl carbonateCarbonic acid=butyl=phenyl esterButyl phenyl carbonate #SCHEMBL730122SCHEMBL2900755SCHEMBL2900757NS00095876
Show more names
Carbonic acid butylphenyl ester
Database identifiers
- CAS
4824-76-4- PubChem CID
- 564930
- DTXSID
DTXSID60880906- Nikkaji
- J117.383I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Kovats Retention Index1447
Physicochemical properties
- Boiling point
- 128 · 128-129 °C(Press: 25 Torr)
- Density
- 1.041 g/cm3 · 1.0410 g/cm3
Chemistry & industry
Suppliers1 total
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Related reactions
1 records
Compound notes
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