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1286744-59-9 | 4-Thiazolecarboxylic acid, 2-cyclopropyl-, methyl ester
CAS No: 1286744-59-9 Catalog No: AG000Y9Z MDL No:
Product Description
Catalog Number:
AG000Y9Z
Chemical Name:
4-Thiazolecarboxylic acid, 2-cyclopropyl-, methyl ester
CAS Number:
1286744-59-9
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
methyl 2-cyclopropyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C8H9NO2S/c1-11-8(10)6-4-12-7(9-6)5-2-3-5/h4-5H,2-3H2,1H3
InChI Key:
CPLITJZCMPATMH-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)C1CC1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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