4-(5-methylthiophen-2-yl)-4-oxobutanoic acid

4-(5-methylthiophen-2-yl)-4-oxobutanoic acid

CAS: 22988-52-9

Formula: C9H10O3S

SMILES: CC1=CC=C(S1)C(=O)CCC(O)=O

IUPAC: 4-(5-methylthiophen-2-yl)-4-oxobutanoic acid

InChI: InChI=1S/C9H10O3S/c1-6-2-4-8(13-6)7(10)3-5-9(11)12/h2,4H,3,5H2,1H3,(H,11,12)

Composition: C (54.53%), H (5.08%), O (24.21%), S (16.17%)

Molar Mass: 198.24

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.035065356
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BBGWOJJYYCDOAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.3
Topological Polar Surface Area	54.37
Polarizability	18.77
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	22988-52-9		Quote Only

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	22988-52-9		$404.27$404.27