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1-Phenylmethoxyethylboronic acid

HCID 21922459
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Basic information

Standard SMILES
CC(OCc1ccccc1)B(O)O
InChIKey
BOMKYRDNGBEBMQ-UHFFFAOYSA-N
Molecular formula
C9H13BO3
Average molar mass
180.01 g/mol

Names & identifiers

Preferred name
1-Phenylmethoxyethylboronic acid
IUPAC
1-phenylmethoxyethylboronic acid

Names & synonyms

SCHEMBL5838084

Database identifiers

PubChem CID
21922459

Properties

Computed structural properties

Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
135

Related reactions

1 records
New reaction record
HRID 166672 reaction equation
HRID 166672As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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