3-methoxy-5-(methoxycarbonyl)-4-methylphenylboronic acid

3-methoxy-5-(methoxycarbonyl)-4-methylphenylboronic acid

Formula: C10H13BO5

SMILES: COC(=O)C1=C(C)C(OC)=CC(=C1)B(O)O

IUPAC: [3-methoxy-5-(methoxycarbonyl)-4-methylphenyl]boronic acid

InChI: InChI=1S/C10H13BO5/c1-6-8(10(12)16-3)4-7(11(13)14)5-9(6)15-2/h4-5,13-14H,1-3H3

Composition: C (53.62%), H (5.85%), B (4.83%), O (35.71%)

Molar Mass: 224.02

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.085604
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	QSIGKYBQDHLIMA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.13
Topological Polar Surface Area	75.99
Polarizability	22.28
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H13BO5		Quote Only