3,6-dimethyl-1-benzofuran-2-carboxylic acid

3,6-dimethyl-1-benzofuran-2-carboxylic acid

CAS: 16820-37-4

Formula: C11H10O3

SMILES: CC1=C(OC2=CC(C)=CC=C12)C(O)=O

IUPAC: 3,6-dimethyl-1-benzofuran-2-carboxylic acid

InChI: InChI=1S/C11H10O3/c1-6-3-4-8-7(2)10(11(12)13)14-9(8)5-6/h3-5H,1-2H3,(H,12,13)

Composition: C (69.46%), H (5.30%), O (25.24%)

Molar Mass: 190.198

Atom Count: 24

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	190.062994182
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IXBLVHFNRPEBDO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.12
Topological Polar Surface Area	50.44
Polarizability	20.56
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	16820-37-4		$73.49-$1,194.39$73.49$121.10$300.15$1,194.39

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	16820-37-4		$138.00$138.00

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	16820-37-4		$80.50-$1,518.00$80.50$124.20$297.85$1,518.00

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	16820-37-4		$529.40$529.40