B(C1=CC=C(C=C1)C(=O)OCC)(O)O
CAS: 4334-88-7
Name: (4-ethoxycarbonylphenyl)boronic acid
SMILES: B(C1=CC=C(C=C1)C(=O)OCC)(O)O

Molecular Processing

Molecular formula
C9H11BO4
Molecular weight
193.99
Exact mass
194.075
XLogP
-0.46
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
52.22

Supplementary Information

InChIKey: ZLNFACCFYUFTLD-UHFFFAOYSA-N
Synonyme
4-Ethoxycarbonylphenylboronic acid4334-88-74-(ethoxycarbonyl)phenylboronic acidDTXSID10370241RefChem:522681DTXCID50321277670-243-0(4-Ethoxycarbonylphenyl)Boronic Acid(4-(ethoxycarbonyl)phenyl)boronic acidMFCD021794414-(ethoxycarbonyl)benzeneboronic acidEthyl 4-boronobenzoateBenzoic acid, 4-borono-, 1-ethyl ester4-Ethoxycarbonylbenzeneboronic acid[4-(ethoxycarbonyl)phenyl]boronic acidp-ethoxycarbonylphenylboronic acid4-Borono-benzoic Acid 1-Ethyl EsterLA4EMV9J6SSCHEMBL51224-AthyloxycarbonylphenylboronsaureZLNFACCFYUFTLD-UHFFFAOYSA-N4-ethoxycarbonyl phenylboronic acid4-ethoxycarbonyl-phenylboronic acid4-ethoxycarbonylphenyl boronic acid(4-Ethoxycarbonylphenyl)BoronicAcid4-ethoxycarbonyl phenyl boronic acid4-ethoxycarbonyl-phenyl boronic acidp-Borono-benzoic acid 1-ethyl esterSBB063240(4-ethoxycarbonylphenyl) boronic acid
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