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1253792-74-3 | 4-Thiazolecarboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 1253792-74-3 Catalog No: AG000NLL MDL No:MFCD17168470
Product Description
Catalog Number:
AG000NLL
Chemical Name:
4-Thiazolecarboxylic acid, 5-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
1253792-74-3
Molecular Formula:
C6H9ClN2O2S
Molecular Weight:
208.6659
MDL Number:
MFCD17168470
IUPAC Name:
ethyl 5-amino-1,3-thiazole-4-carboxylate;hydrochloride
InChI:
InChI=1S/C6H8N2O2S.ClH/c1-2-10-6(9)4-5(7)11-3-8-4;/h3H,2,7H2,1H3;1H
InChI Key:
WHVYDHSLKKRQRV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncsc1N.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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