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175202-91-2 | 3,4-DIHYDRO-2,2-DIOXO-7-METHOXYCARBONYL-1-METHYLBENZO[2,1-C]THIAZIN-4-ONE
CAS No: 175202-91-2 Catalog No: AG00AP76 MDL No:MFCD00052152
Product Description
Catalog Number:
AG00AP76
Chemical Name:
3,4-DIHYDRO-2,2-DIOXO-7-METHOXYCARBONYL-1-METHYLBENZO[2,1-C]THIAZIN-4-ONE
CAS Number:
175202-91-2
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
MDL Number:
MFCD00052152
IUPAC Name:
methyl 1-methyl-2,2,4-trioxo-2λ6,1-benzothiazine-7-carboxylate
InChI:
InChI=1S/C11H11NO5S/c1-12-9-5-7(11(14)17-2)3-4-8(9)10(13)6-18(12,15)16/h3-5H,6H2,1-2H3
InChI Key:
UEHJSPSKPQORNS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)CC2=O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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