5-(pentyloxy)-2-sulfobenzoic acid

5-(pentyloxy)-2-sulfobenzoic acid

Formula: C12H16O6S

SMILES: CCCCCOC1=CC=C(C(=C1)C(O)=O)S(O)(=O)=O

IUPAC: 5-(pentyloxy)-2-sulfobenzoic acid

InChI: InChI=1S/C12H16O6S/c1-2-3-4-7-18-9-5-6-11(19(15,16)17)10(8-9)12(13)14/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,15,16,17)

Composition: C (49.99%), H (5.59%), O (33.29%), S (11.12%)

Molar Mass: 288.31

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	288.066759409
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	NHRFYAIHXVYZLT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.87
Topological Polar Surface Area	100.9
Polarizability	27.25
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00