4-(methoxycarbonyl)-3,5-dimethylphenylboronic acid

4-(methoxycarbonyl)-3,5-dimethylphenylboronic acid

CAS: 876189-19-4

Formula: C10H13BO4

SMILES: COC(=O)C1=C(C)C=C(C=C1C)B(O)O

IUPAC: [4-(methoxycarbonyl)-3,5-dimethylphenyl]boronic acid

InChI: InChI=1S/C10H13BO4/c1-6-4-8(11(13)14)5-7(2)9(6)10(12)15-3/h4-5,13-14H,1-3H3

Composition: C (57.74%), H (6.30%), B (5.20%), O (30.76%)

Molar Mass: 208.02

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.090689
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PZRQLKHCAJPJDQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.71
Topological Polar Surface Area	66.76
Polarizability	21.5
Ring Count	1
Rotatable Bond Count	3

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