1-Butoxymethylcyclopropanecarboxylic acid
Basic information
- CAS
1387557-29-0- Standard SMILES
CCCCOCC1(C(=O)O)CC1- InChIKey
NJSHKJMEFQMVCG-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 1-Butoxymethylcyclopropanecarboxylic acid
- IUPAC
- 1-(butoxymethyl)cyclopropane-1-carboxylic acid
Names & synonyms
1387557-29-01-(Butoxymethyl)cyclopropane-1-carboxylic acid1-Butoxymethylcyclopropanecarboxylic acid1-Butoxymethyl-cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 1-(butoxymethyl)-DTXSID8012459961-(butoxymethyl)cyclopropanecarboxylic acidCS-0445650H28043A1-03139
Database identifiers
- CAS
1387557-29-0- PubChem CID
- 97033903
- DTXSID
DTXSID801245996
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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