2-ethoxy-5-methoxyphenylboronic acid

2-ethoxy-5-methoxyphenylboronic acid

CAS: 957065-85-9

Formula: C9H13BO4

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

IUPAC: (2-ethoxy-5-methoxyphenyl)boronic acid

InChI: InChI=1S/C9H13BO4/c1-3-14-9-5-4-7(13-2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3

Composition: C (55.15%), H (6.69%), B (5.52%), O (32.65%)

Molar Mass: 196.01

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.090689
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QZURUWKQPQTXPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.28
Topological Polar Surface Area	58.92
Polarizability	20.42
Ring Count	1
Rotatable Bond Count	4

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