Home Carboxys 4-cyclopentyl-1,3-thiazole-5-carboxylic acid

4-cyclopentyl-1,3-thiazole-5-carboxylic acid

CAS No.:
1461706-86-4
Catalog Number:
AG01A5IP
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
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Product Description
Catalog Number:
AG01A5IP
Chemical Name:
4-cyclopentyl-1,3-thiazole-5-carboxylic acid
CAS Number:
1461706-86-4
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD26407546
IUPAC Name:
4-cyclopentyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H11NO2S/c11-9(12)8-7(10-5-13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,11,12)
InChI Key:
JAMCGOPCUMNCPA-UHFFFAOYSA-N
SMILES:
OC(=O)c1scnc1C1CCCC1
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties