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832735-95-2 | 1H,3H-Pyrrolo[1,2-c]thiazole-6-carboxylic acid, 5-phenyl-, 2-oxide
CAS No: 832735-95-2 Catalog No: AG004TAU MDL No:
Product Description
Catalog Number:
AG004TAU
Chemical Name:
1H,3H-Pyrrolo[1,2-c]thiazole-6-carboxylic acid, 5-phenyl-, 2-oxide
CAS Number:
832735-95-2
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
2-oxo-5-phenyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6-carboxylic acid
InChI:
InChI=1S/C13H11NO3S/c15-13(16)11-6-10-7-18(17)8-14(10)12(11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,15,16)
InChI Key:
QYCYNOXEXPPCSE-UHFFFAOYSA-N
SMILES:
O=S1Cn2c(C1)cc(c2c1ccccc1)C(=O)O
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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