3-methylphenyl methanesulfonate

3-methylphenyl methanesulfonate

CAS: 1077-02-7

Formula: C8H10O3S

SMILES: CC1=CC=CC(OS(C)(=O)=O)=C1

IUPAC: 3-methylphenyl methanesulfonate

InChI: InChI=1S/C8H10O3S/c1-7-4-3-5-8(6-7)11-12(2,9)10/h3-6H,1-2H3

Composition: C (51.60%), H (5.41%), O (25.77%), S (17.22%)

Molar Mass: 186.23

Atom Count: 22

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.035065356
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZYZUSFZMXYITLB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.83
Topological Polar Surface Area	43.37
Polarizability	18.8
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1077-02-7		$1,700.00-$2,530.00$1,700.00$2,530.00