p-Cymene-2-carboxylic acid, 3-propoxy-
Basic information
- CAS
53206-94-3- Standard SMILES
CCCOc1c(C(C)C)ccc(C)c1C(=O)O- InChIKey
FUKGUAVFRQEKLQ-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- p-Cymene-2-carboxylic acid, 3-propoxy-
- IUPAC
- 6-methyl-3-propan-2-yl-2-propoxybenzoic acid
- English name
- 3-Propoxy-p-cymene-2-carboxylic acid
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
BRN 2373682p-CYMENE-2-CARBOXYLIC ACID, 3-PROPOXY-53206-94-3Benzoic acid, 3-isopropyl-2-propoxy-6-methyl-DTXSID30201280RefChem:367667DTXCID301237716-methyl-3-(propan-2-yl)-2-propoxybenzoic acid3-Propoxy-p-cymene-2-carboxylic acidBenzoic acid, 6-methyl-3-(1-methylethyl)-2-propoxy-
Database identifiers
- CAS
53206-94-3- PubChem CID
- 40660
- DTXSID
DTXSID30201280- Nikkaji
- J85.322D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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