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69604-86-0 | 4-Thiazolecarboxylic acid, 5,5-diethyl-4,5-dihydro-, phenylmethyl ester
CAS No: 69604-86-0 Catalog No: AG005K24 MDL No:
Product Description
Catalog Number:
AG005K24
Chemical Name:
4-Thiazolecarboxylic acid, 5,5-diethyl-4,5-dihydro-, phenylmethyl ester
CAS Number:
69604-86-0
Molecular Formula:
C15H19NO2S
Molecular Weight:
277.3819
IUPAC Name:
benzyl 5,5-diethyl-4H-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C15H19NO2S/c1-3-15(4-2)13(16-11-19-15)14(17)18-10-12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChI Key:
ARIXDNSIEYGVGA-UHFFFAOYSA-N
SMILES:
CCC1(CC)SC=NC1C(=O)OCc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.382g/mol
Monoisotopic Mass:
277.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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