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1245648-02-5 | 8H-Indeno[1,2-d]thiazole-5-carboxylic acid, 2-aMino-, Methyl ester
CAS No: 1245648-02-5 Catalog No: AG000MBP MDL No:
Product Description
Catalog Number:
AG000MBP
Chemical Name:
8H-Indeno[1,2-d]thiazole-5-carboxylic acid, 2-aMino-, Methyl ester
CAS Number:
1245648-02-5
Molecular Formula:
C12H10N2O2S
Molecular Weight:
246.2850
IUPAC Name:
methyl 2-amino-4H-indeno[1,2-d][1,3]thiazole-7-carboxylate
InChI:
InChI=1S/C12H10N2O2S/c1-16-11(15)7-3-2-6-5-9-10(8(6)4-7)14-12(13)17-9/h2-4H,5H2,1H3,(H2,13,14)
InChI Key:
LWSOYOUVRQXOIT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)c1nc(sc1C2)N
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.284g/mol
Monoisotopic Mass:
246.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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