이름: (2-octyl-2,3-dihydro-1-benzofuran-5-yl)boronic acid
SMILES:
B(C1=CC2=C(C=C1)OC(C2)CCCCCCCC)(O)OMolecular Processing
Molecular formula
C16H25BO3
Molecular weight
276.18
Exact mass
276.1897
XLogP
2.42
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
82.38
Supplementary Information
InChIKey: MPZVOCCJDMQFFH-UHFFFAOYSA-N
동의어
2-octylcoumaran-5-boronic acidSCHEMBL8688839MPZVOCCJDMQFFH-UHFFFAOYSA-N
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