5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid

5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid

CAS: 462068-43-5

Formula: C11H16O4

SMILES: CC1=C(C(O)=O)C(CO)=C(O1)C(C)(C)C

IUPAC: 5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid

InChI: InChI=1S/C11H16O4/c1-6-8(10(13)14)7(5-12)9(15-6)11(2,3)4/h12H,5H2,1-4H3,(H,13,14)

Composition: C (62.25%), H (7.60%), O (30.15%)

Molar Mass: 212.245

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.104858995
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FDSKGVGFTCCVAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.34
Topological Polar Surface Area	70.67
Polarizability	21.1
Ring Count	1
Rotatable Bond Count	3

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	462068-43-5		$404.27$404.27