B(C1=CC(=CC=C1)OCC)(O)O
CAS: 90555-66-1
Name: (3-ethoxyphenyl)boronic acid
SMILES: B(C1=CC(=CC=C1)OCC)(O)O

Molecular Processing

Molecular formula
C8H11BO3
Molecular weight
165.99
Exact mass
166.0801
XLogP
-0.23
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
47.44

Supplementary Information

InChIKey: CHCWUTJYLUBETR-UHFFFAOYSA-N
Synonyme
3-Ethoxybenzeneboronic AcidRefChem:501205677-320-83-Ethoxyphenylboronic acid90555-66-1(3-ethoxyphenyl)boronic Acid3-Ethoxyphenyl boronic acidMFCD002742193-EthoxyphenylboronicacidBoronic acid, (3-ethoxyphenyl)-3-ethoxy-phenylboronic acidSCHEMBL85533-ethoxy phenyl boronic acidDTXSID40378775[3-(ethyloxy)phenyl]boronic acidAKOS004116593AB05868AC-5354CS-W002602AS-37397SY024923DB-012326E0724EN300-177185F040251Z336079740VP8
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