4-formyl-3,5-dimethylphenylboronic acid

4-formyl-3,5-dimethylphenylboronic acid

CAS: 1218790-71-6

Formula: C9H11BO3

SMILES: CC1=CC(=CC(C)=C1C=O)B(O)O

IUPAC: (4-formyl-3,5-dimethylphenyl)boronic acid

InChI: InChI=1S/C9H11BO3/c1-6-3-8(10(12)13)4-7(2)9(6)5-11/h3-5,12-13H,1-2H3

Composition: C (60.73%), H (6.23%), B (6.07%), O (26.97%)

Molar Mass: 177.99

Atom Count: 24

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	178.080124
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HMOKNSHYDFAZAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.27
Topological Polar Surface Area	57.53
Polarizability	18.96
Ring Count	1
Rotatable Bond Count	2

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