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73956-16-8 | 4-Thiazolecarboxylic acid, 2-(diethoxymethyl)-, ethyl ester
CAS No: 73956-16-8 Catalog No: AG005IV2 MDL No:MFCD10000588
Product Description
Catalog Number:
AG005IV2
Chemical Name:
4-Thiazolecarboxylic acid, 2-(diethoxymethyl)-, ethyl ester
CAS Number:
73956-16-8
Molecular Formula:
C11H17NO4S
Molecular Weight:
259.3220
MDL Number:
MFCD10000588
IUPAC Name:
ethyl 2-(diethoxymethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H17NO4S/c1-4-14-10(13)8-7-17-9(12-8)11(15-5-2)16-6-3/h7,11H,4-6H2,1-3H3
InChI Key:
PPORIIMLVGSHLO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(OCC)OCC
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.32g/mol
Monoisotopic Mass:
259.088g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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