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278183-10-1 | 5-Thiazolecarboxylic acid, 4-amino-, methyl ester
CAS No: 278183-10-1 Catalog No: AG002UTR MDL No:MFCD09033876
Product Description
Catalog Number:
AG002UTR
Chemical Name:
5-Thiazolecarboxylic acid, 4-amino-, methyl ester
CAS Number:
278183-10-1
Molecular Formula:
C5H6N2O2S
Molecular Weight:
158.1783
MDL Number:
MFCD09033876
IUPAC Name:
methyl 4-amino-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C5H6N2O2S/c1-9-5(8)3-4(6)7-2-10-3/h2H,6H2,1H3
InChI Key:
XQVJYGMYJCSUNF-UHFFFAOYSA-N
SMILES:
COC(=O)c1scnc1N
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.015g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.175g/mol
Monoisotopic Mass:
158.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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