Basic information
- Standard SMILES
CC(C)(C)C(=O)Oc1ccccc1- InChIKey
PUXKSJCSTXMIKR-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- 2,2-Dimethylpropanoic acid, phenyl ester
- IUPAC
- phenyl 2,2-dimethylpropanoate
- English name
- 2,2-Dimethylpropanoic acid phenyl ester
- Molecular formula
- C11H14O2
- Molecular weight
- 178.23
Names & synonyms
4920-92-72,2-Dimethylpropanoic acid, phenyl esterDTXSID40197721RefChem:1059140DTXCID00120212Pivalic acid, phenyl esterPHENYL 2,2-DIMETHYLPROPANOATEPhenyl pivalatePhenyl trimethylacetate2,2-Dimethylpropanoic acid phenyl ester2,2-dimethyl-propionic acid phenyl esterSivelestat Impurity 26
Show more names
Pivalic acid phenyl ester
Propanoic acid, 2,2-dimethyl-, phenyl esterSCHEMBL2342588SCHEMBL2471671SCHEMBL7219935SCHEMBL7723112PUXKSJCSTXMIKR-UHFFFAOYSA-NNSC74550NSC 74550
Database identifiers
- CAS
4920-92-7- PubChem CID
- 21028
- DTXSID
DTXSID40197721- Nikkaji
- J113.631C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 112 °C · 112 °C(Press: 25 Torr)
- Density
- 1.009 · 1.009±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
55 records
Linked notes
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