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88469-80-1 | 5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-, ethyl ester
CAS No: 88469-80-1 Catalog No: AG0049S9 MDL No:
Product Description
Catalog Number:
AG0049S9
Chemical Name:
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-phenyl-, ethyl ester
CAS Number:
88469-80-1
Molecular Formula:
C15H15NO4S
Molecular Weight:
305.3489
IUPAC Name:
ethyl 4-(acetyloxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C15H15NO4S/c1-3-19-15(18)13-12(9-20-10(2)17)16-14(21-13)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3
InChI Key:
JHUSCIIWUXZAOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1COC(=O)C)c1ccccc1
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.348g/mol
Monoisotopic Mass:
305.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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