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1190391-79-7 | 4H-Cyclopentathiazole-4-carboxylic acid, 5,6-dihydro-2-methyl-
CAS No: 1190391-79-7 Catalog No: AG000I3U MDL No:MFCD19706035
Product Description
Catalog Number:
AG000I3U
Chemical Name:
4H-Cyclopentathiazole-4-carboxylic acid, 5,6-dihydro-2-methyl-
CAS Number:
1190391-79-7
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD19706035
IUPAC Name:
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H9NO2S/c1-4-9-7-5(8(10)11)2-3-6(7)12-4/h5H,2-3H2,1H3,(H,10,11)
InChI Key:
LXTQNZVLBRIKML-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)CCC2C(=O)O
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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