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162849-96-9 | 5-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 162849-96-9 Catalog No: AG001TH4 MDL No:MFCD11035752
Product Description
Catalog Number:
AG001TH4
Chemical Name:
5-Thiazolecarboxylic acid, 2-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
162849-96-9
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
MDL Number:
MFCD11035752
IUPAC Name:
ethyl 2-amino-1,3-thiazole-5-carboxylate;hydrochloride
InChI:
InChI=1S/C6H8N2O2S.ClH/c1-2-10-5(9)4-3-8-6(7)11-4;/h3H,2H2,1H3,(H2,7,8);1H
InChI Key:
SQNIBACOPWYWND-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(s1)N.Cl
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.007g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.66g/mol
Monoisotopic Mass:
208.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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