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88426-83-9 | 5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-, ethyl ester, (R)-
CAS No: 88426-83-9 Catalog No: AG004ESO MDL No:
Product Description
Catalog Number:
AG004ESO
Chemical Name:
5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-, ethyl ester, (R)-
CAS Number:
88426-83-9
Molecular Formula:
C12H21NO2S
Molecular Weight:
243.3656
IUPAC Name:
ethyl 5-(2,2-dimethyl-5H-1,3-thiazol-5-yl)pentanoate
InChI:
InChI=1S/C12H21NO2S/c1-4-15-11(14)8-6-5-7-10-9-13-12(2,3)16-10/h9-10H,4-8H2,1-3H3
InChI Key:
VQTFIXGWUNVGRH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC[C@@H]1C=NC(S1)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.365g/mol
Monoisotopic Mass:
243.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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