Benzoic acid, 4-(allyloxy)-3,5-diisopropyl-
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Basic information
- CAS
7192-38-3- Standard SMILES
C=CCOc1c(C(C)C)cc(C(=O)O)cc1C(C)C- InChIKey
OIOXCRHTASIASQ-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Names & identifiers
- Preferred name
- Benzoic acid, 4-(allyloxy)-3,5-diisopropyl-
- IUPAC
- 3,5-di(propan-2-yl)-4-prop-2-enoxybenzoic acid
- English name
- 4-(Allyloxy)-3,5-diisopropylbenzoic acid
- Molecular formula
- C16H22O3
- Molecular weight
- 262.34408
Names & synonyms
BRN 26208804-Allyloxy-3,5-diisopropylbenzoic acidBENZOIC ACID, 4-(ALLYLOXY)-3,5-DIISOPROPYL-7192-38-3DTXSID40222183RefChem:327471DTXCID401446744-(Allyloxy)-3,5-diisopropylbenzoic acid3,5-Di(propan-2-yl)-4-[(prop-2-en-1-yl)oxy]benzoic acid
Database identifiers
- CAS
7192-38-3- PubChem CID
- 23580
- DTXSID
DTXSID40222183- Nikkaji
- J73.808E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
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Compound notes
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