Completing data — usually done within a minute
Basic information
- CAS
19820-47-4- Standard SMILES
COc1ccc(OC(=O)C(C)(C)C)cc1- InChIKey
ASIMJPKPWCJCKI-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2,2-Dimethylpropanoic acid, 4-methoxyphenyl ester
- IUPAC
- (4-methoxyphenyl) 2,2-dimethylpropanoate
Names & synonyms
19820-47-42,2-Dimethylpropanoic acid, 4-methoxyphenyl esterDTXSID00312372RefChem:243603DTXCID002634964-Methoxyphenyl Pivalate4-methoxyphenyl 2,2-dimethylpropanoate(4-methoxyphenyl) 2,2-dimethylpropanoateNSC254050SCHEMBL11596680ASIMJPKPWCJCKI-UHFFFAOYSA-NMFCD02339488
Show more names
AKOS002952963NSC-254050SY333389E87635Propanoic acid, 2,2-dimethyl-, 4-methoxyphenyl ester
Database identifiers
- CAS
19820-47-4- PubChem CID
- 318218
- DTXSID
DTXSID00312372- Nikkaji
- J559.123F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
9 records
Compound notes
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