Home Carboxys 2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:
1334146-94-9
Catalog Number:
AG01AJPY
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
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Product Description
Catalog Number:
AG01AJPY
Chemical Name:
2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CAS Number:
1334146-94-9
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD19686324
IUPAC Name:
2-(1-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C9H13NO3S/c1-4-13-6(3)8-10-5(2)7(14-8)9(11)12/h6H,4H2,1-3H3,(H,11,12)
InChI Key:
VHHNAKXPUMJMLP-UHFFFAOYSA-N
SMILES:
CCOC(c1nc(c(s1)C(=O)O)C)C
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties