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89149-13-3 | 5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-, methyl ester
CAS No: 89149-13-3 Catalog No: AG003XHU MDL No:
Product Description
Catalog Number:
AG003XHU
Chemical Name:
5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-, methyl ester
CAS Number:
89149-13-3
Molecular Formula:
C11H19NO2S
Molecular Weight:
229.3391
IUPAC Name:
methyl 5-(2,2-dimethyl-5H-1,3-thiazol-5-yl)pentanoate
InChI:
InChI=1S/C11H19NO2S/c1-11(2)12-8-9(15-11)6-4-5-7-10(13)14-3/h8-9H,4-7H2,1-3H3
InChI Key:
HHSNVEHAYCSHQY-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC1C=NC(S1)(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.338g/mol
Monoisotopic Mass:
229.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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