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1190320-40-1 | 6-Benzothiazolecarboxylic acid, 4-methyl-, methyl ester
CAS No: 1190320-40-1 Catalog No: AG000HXP MDL No:MFCD12963417
Product Description
Catalog Number:
AG000HXP
Chemical Name:
6-Benzothiazolecarboxylic acid, 4-methyl-, methyl ester
CAS Number:
1190320-40-1
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD12963417
IUPAC Name:
methyl 4-methyl-1,3-benzothiazole-6-carboxylate
InChI:
InChI=1S/C10H9NO2S/c1-6-3-7(10(12)13-2)4-8-9(6)11-5-14-8/h3-5H,1-2H3
InChI Key:
RNAFTDYJQDFPED-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c2c(c1)scn2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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