5-formyl-2-methylphenylboronic acid

5-formyl-2-methylphenylboronic acid

CAS: 1186398-35-5

Formula: C8H9BO3

SMILES: CC1=CC=C(C=O)C=C1B(O)O

IUPAC: (5-formyl-2-methylphenyl)boronic acid

InChI: InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5,11-12H,1H3

Composition: C (58.60%), H (5.53%), B (6.59%), O (29.27%)

Molar Mass: 163.97

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.064474
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VBQDWWUYMAWKHV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.23
Topological Polar Surface Area	57.53
Polarizability	17.19
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1186398-35-5		$39.09-$172.76$39.09$66.83$172.76