Home Carboxys methyl 6-methoxy-1,2-benzothiazole-3-carboxylate

methyl 6-methoxy-1,2-benzothiazole-3-carboxylate

CAS No.:
1123169-11-8
Catalog Number:
AG01AFPE
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
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Product Description
Catalog Number:
AG01AFPE
Chemical Name:
methyl 6-methoxy-1,2-benzothiazole-3-carboxylate
CAS Number:
1123169-11-8
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD11858588
IUPAC Name:
methyl 6-methoxy-1,2-benzothiazole-3-carboxylate
InChI:
InChI=1S/C10H9NO3S/c1-13-6-3-4-7-8(5-6)15-11-9(7)10(12)14-2/h3-5H,1-2H3
InChI Key:
RXDFCWVEJBGZAC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)snc2C(=O)OC
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties