B(O)(O)OC1=CC=C(C=C1)CCC
الاسم: (4-propylphenoxy)boronic acid
SMILES: B(O)(O)OC1=CC=C(C=C1)CCC

Molecular Processing

Molecular formula
C9H13BO3
Molecular weight
180.01
Exact mass
180.0958
XLogP
0.99
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
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
0.333
Molar refractivity
51.26

Supplementary Information

InChIKey: MPSMMJPLERAHAL-UHFFFAOYSA-N
مرادفات
SCHEMBL761972MPSMMJPLERAHAL-UHFFFAOYSA-N
عرض المصدر
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