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methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1??,2-benzothiazine-3-carboxylate

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1??,2-benzothiazine-3-carboxylate

CAS: 35511-15-0

Formula: C11H11NO5S

SMILES: COC(=O)C1=C(O)C2=C(C=CC=C2)S(=O)(=O)N1C

IUPAC: methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1??,2-benzothiazine-3-carboxylate

InChI: InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3

Composition: C (49.07%), H (4.12%), N (5.20%), O (29.71%), S (11.91%)

Molar Mass: 269.27

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.035793632
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NGHIOTWSWSQQNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.38
Topological Polar Surface Area 83.91
Polarizability 25.33
Ring Count 2
Rotatable Bond Count 2

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 35511-15-0 $51.35-$86.31$51.35$63.37$86.31
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 35511-15-0 $80.58-$256.02$80.58$92.82$126.48$164.22$256.02
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