B(C1=CC(=C(C(=C1)OC(C)C)OC)OC(C)C)(O)O
CAS: 482627-90-7
Name: [4-methoxy-3,5-di(propan-2-yloxy)phenyl]boronic acid
SMILES: B(C1=CC(=C(C(=C1)OC(C)C)OC)OC(C)C)(O)O

Molecular Processing

Molecular formula
C13H21BO5
Molecular weight
268.12
Exact mass
268.1482
XLogP
0.95
TPSA
68.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
74.35

Supplementary Information

InChIKey: KRCPDCQAVCBTEE-UHFFFAOYSA-N
Synonyme
SCHEMBL5623277KRCPDCQAVCBTEE-UHFFFAOYSA-N3,5-diisopropoxy-4-methoxyphenylboronic acid482627-90-7
Quelle anzeigen →
An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→