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1245648-00-3 | 8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLIC ACID
CAS No: 1245648-00-3 Catalog No: AG000MBQ MDL No:MFCD14706811
Product Description
Catalog Number:
AG000MBQ
Chemical Name:
8H-INDENO[1,2-D]THIAZOLE-5-CARBOXYLIC ACID
CAS Number:
1245648-00-3
Molecular Formula:
C11H7NO2S
Molecular Weight:
217.2438
MDL Number:
MFCD14706811
IUPAC Name:
4H-indeno[1,2-d][1,3]thiazole-7-carboxylic acid
InChI:
InChI=1S/C11H7NO2S/c13-11(14)7-2-1-6-4-9-10(8(6)3-7)12-5-15-9/h1-3,5H,4H2,(H,13,14)
InChI Key:
LTORWSCJMLAOKQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c1ncsc1C2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.242g/mol
Monoisotopic Mass:
217.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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