CAS: 99768-12-4
名称: (4-methoxycarbonylphenyl)boronic acid
SMILES:
B(C1=CC=C(C=C1)C(=O)OC)(O)OMolecular Processing
Molecular formula
C8H9BO4
Molecular weight
179.97
Exact mass
180.0594
XLogP
-0.85
TPSA
66.76
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
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
0.125
Molar refractivity
47.61
Supplementary Information
InChIKey: PQCXFUXRTRESBD-UHFFFAOYSA-N
同義語
4-Methoxycarbonylphenylboronic acid4-(Methoxycarbonyl)phenylboronic acidRefChem:524769619-459-999768-12-4Methyl 4-boronobenzoate(4-(Methoxycarbonyl)phenyl)boronic acid(4-Methoxycarbonylphenyl)boronic acid4-(Methoxycarbonyl)benzeneboronic Acid[4-(methoxycarbonyl)phenyl]boronic acidMFCD016322034-(methoxycabonyl)phenylboronic acidp-(methoxycarbonyl)phenylboronic acid4-carbomethoxyphenylboronic acidCHEMBL18241694-Methoxycarbonylbenzeneboronic acid4-methoxycarbonyl phenyl boronic acidMethyl 4-(Dihydroxyboranyl)BenzoateSCHEMBL140644orb2940393RARECHEM AH PB 0115p-carbomethoxyphenyl boronic acidDTXSID40370259p-methoxycarbonylphenylboronic acid4-(carbomethoxy)phenylboronic acid4-methoxycarbonyl phenylboronic acid4-methoxycarbonyl-phenylboronic acid4-methoxycarbonylphenyl boronic acid4-methoxycarbonylphenyl-boronic acidALBB-006125
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