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100114-63-4 | 2-Thiazolecarboxylic acid, 5-amino-, ethyl ester
CAS No: 100114-63-4 Catalog No: AG000104 MDL No:MFCD20697238
Product Description
Catalog Number:
AG000104
Chemical Name:
2-Thiazolecarboxylic acid, 5-amino-, ethyl ester
CAS Number:
100114-63-4
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD20697238
IUPAC Name:
ethyl 5-amino-1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-2-10-6(9)5-8-3-4(7)11-5/h3H,2,7H2,1H3
InChI Key:
IZCSREAMZDZVFW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(s1)N
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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