3-(Cyclopentylmethoxy)phenylboronic acid
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Basic information
- CAS
945837-58-1- Standard SMILES
OB(O)c1cccc(OCC2CCCC2)c1- InChIKey
FIVRHXJABQHAFO-UHFFFAOYSA-N- Molecular formula
- C12H17BO3
- Average molar mass
- 220.07 g/mol
- Monoisotopic mass
- 220.1270746
Names & identifiers
- Preferred name
- 3-(Cyclopentylmethoxy)phenylboronic acid
- IUPAC
- [3-(cyclopentylmethoxy)phenyl]boronic acid
Names & synonyms
945837-58-1B-[3-(Cyclopentylmethoxy)phenyl]boronic acid(3-(Cyclopentylmethoxy)phenyl)boronic acid[3-(cyclopentylmethoxy)phenyl]boronic acidSCHEMBL3292134FIVRHXJABQHAFO-UHFFFAOYSA-NDTXSID301255461AKOS0105992663-(cyclopentylmethoxy)phenylboronic acidBoronic acid, B-[3-(cyclopentylmethoxy)phenyl]-
Database identifiers
- CAS
945837-58-1- PubChem CID
- 61343754
- DTXSID
DTXSID301255461
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
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Related reactions
3 records
Compound notes
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