methyl 2-(4-cyanobenzenesulfonyl)acetate

methyl 2-(4-cyanobenzenesulfonyl)acetate

Formula: C10H9NO4S

SMILES: COC(=O)CS(=O)(=O)C1=CC=C(C=C1)C#N

IUPAC: methyl 2-(4-cyanobenzenesulfonyl)acetate

InChI: InChI=1S/C10H9NO4S/c1-15-10(12)7-16(13,14)9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3

Composition: C (50.20%), H (3.79%), N (5.85%), O (26.75%), S (13.40%)

Molar Mass: 239.25

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.025228948
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GSMDUXKSEOZPGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.39
Topological Polar Surface Area	84.23
Polarizability	22.67
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H9NO4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00