3-ethoxy-5-methylphenylboronic acid

3-ethoxy-5-methylphenylboronic acid

CAS: 1256346-05-0

Formula: C9H13BO3

SMILES: CCOC1=CC(=CC(C)=C1)B(O)O

IUPAC: (3-ethoxy-5-methylphenyl)boronic acid

InChI: InChI=1S/C9H13BO3/c1-3-13-9-5-7(2)4-8(6-9)10(11)12/h4-6,11-12H,3H2,1-2H3

Composition: C (60.05%), H (7.28%), B (6.01%), O (26.66%)

Molar Mass: 180.01

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.095774
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DYSSQITZDLDPSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.86
Topological Polar Surface Area	49.69
Polarizability	19.65
Ring Count	1
Rotatable Bond Count	3

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