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methyl 3-(2H-1,3-benzodioxol-5-yl)-3-methanesulfonamidopropanoate

methyl 3-(2H-1,3-benzodioxol-5-yl)-3-methanesulfonamidopropanoate

CAS: 866136-96-1

Formula: C12H15NO6S

SMILES: COC(=O)CC(NS(C)(=O)=O)C1=CC2=C(OCO2)C=C1

IUPAC: methyl 3-(2H-1,3-benzodioxol-5-yl)-3-methanesulfonamidopropanoate

InChI: InChI=1/C12H15NO6S/c1-17-12(14)6-9(13-20(2,15)16)8-3-4-10-11(5-8)19-7-18-10/h3-5,9,13H,6-7H2,1-2H3

Composition: C (47.83%), H (5.02%), N (4.65%), O (31.86%), S (10.64%)

Molar Mass: 301.31

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 301.062008381
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey QQPJDMQGOXBYSP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.57
Topological Polar Surface Area 90.93
Polarizability 28.23
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866136-96-1 $51.35-$86.31$51.35$63.37$86.31
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