Home Carboxys 2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid

2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1803610-44-7
Catalog Number:
AG01B7PU
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
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Product Description
Catalog Number:
AG01B7PU
Chemical Name:
2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1803610-44-7
Molecular Formula:
C6H7NO3S
Molecular Weight:
173.1897
MDL Number:
MFCD22396625
IUPAC Name:
2-(1-hydroxyethyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C6H7NO3S/c1-3(8)5-7-2-4(11-5)6(9)10/h2-3,8H,1H3,(H,9,10)
InChI Key:
YIVPVTFGZULOPO-UHFFFAOYSA-N
SMILES:
CC(c1ncc(s1)C(=O)O)O
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.015g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
173.186g/mol
Monoisotopic Mass:
173.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties