4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl methanesulfonate

4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl methanesulfonate

CAS: 331460-82-3

Formula: C17H14O6S

SMILES: CS(=O)(=O)OC1=CC=C(C=C1)C(=O)C=CC1=CC2=C(OCO2)C=C1

IUPAC: 4-[3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl methanesulfonate

InChI: InChI=1S/C17H14O6S/c1-24(19,20)23-14-6-4-13(5-7-14)15(18)8-2-12-3-9-16-17(10-12)22-11-21-16/h2-10H,11H2,1H3

Composition: C (58.95%), H (4.07%), O (27.72%), S (9.26%)

Molar Mass: 346.35

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	346.051109345
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	NIRAUKLDARHTRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.38
Topological Polar Surface Area	78.9
Polarizability	34.45
Ring Count	3
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	331460-82-3		$51.35-$524.40$51.35$63.37$86.31$524.40