4-(2,3-dimethylphenoxy)butanoic acid

4-(2,3-dimethylphenoxy)butanoic acid

Formula: C12H16O3

SMILES: CC1=CC=CC(OCCCC(O)=O)=C1C

IUPAC: 4-(2,3-dimethylphenoxy)butanoic acid

InChI: InChI=1S/C12H16O3/c1-9-5-3-6-11(10(9)2)15-8-4-7-12(13)14/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)

Composition: C (69.21%), H (7.74%), O (23.05%)

Molar Mass: 208.257

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.109944375
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UCSFUDMEDAWBOJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.14
Topological Polar Surface Area	46.53
Polarizability	22.41
Ring Count	1
Rotatable Bond Count	5

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C12H16O3		$404.27$404.27

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00