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133047-44-6 | 4-Thiazolecarboxylic acid, 2-(1-methylethyl)-, ethyl ester
CAS No: 133047-44-6 Catalog No: AG0011KB MDL No:MFCD09025787
Product Description
Catalog Number:
AG0011KB
Chemical Name:
4-Thiazolecarboxylic acid, 2-(1-methylethyl)-, ethyl ester
CAS Number:
133047-44-6
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD09025787
IUPAC Name:
ethyl 2-propan-2-yl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5-13-8(10-7)6(2)3/h5-6H,4H2,1-3H3
InChI Key:
AQWWEQDAHKVXMK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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