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1225286-62-3 | 4-Thiazoleacetic acid, hydrochloride (1:1)
CAS No: 1225286-62-3 Catalog No: AG0017DU MDL No:MFCD09991935
Product Description
Catalog Number:
AG0017DU
Chemical Name:
4-Thiazoleacetic acid, hydrochloride (1:1)
CAS Number:
1225286-62-3
Molecular Formula:
C5H6ClNO2S
Molecular Weight:
179.6246
MDL Number:
MFCD09991935
IUPAC Name:
2-(1,3-thiazol-4-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C5H5NO2S.ClH/c7-5(8)1-4-2-9-3-6-4;/h2-3H,1H2,(H,7,8);1H
InChI Key:
XNWMOBQIRBVDBP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cscn1.Cl
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.618g/mol
Monoisotopic Mass:
178.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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