3,4,5-trimethoxyphenylboronic acid

3,4,5-trimethoxyphenylboronic acid

CAS: 182163-96-8

Formula: C9H13BO5

SMILES: COC1=CC(=CC(OC)=C1OC)B(O)O

IUPAC: (3,4,5-trimethoxyphenyl)boronic acid

InChI: InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3

Composition: C (50.99%), H (6.18%), B (5.10%), O (37.73%)

Molar Mass: 212.01

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.085604
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	RULQUTYJXDLRFL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.99
Topological Polar Surface Area	68.15
Polarizability	21.13
Ring Count	1
Rotatable Bond Count	4

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