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89149-11-1 | 5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-
CAS No: 89149-11-1 Catalog No: AG0075S1 MDL No:
Product Description
Catalog Number:
AG0075S1
Chemical Name:
5-Thiazolepentanoic acid, 2,5-dihydro-2,2-dimethyl-
CAS Number:
89149-11-1
Molecular Formula:
C10H17NO2S
Molecular Weight:
215.3125
IUPAC Name:
5-(2,2-dimethyl-5H-1,3-thiazol-5-yl)pentanoic acid
InChI:
InChI=1S/C10H17NO2S/c1-10(2)11-7-8(14-10)5-3-4-6-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChI Key:
VDNSCJGWGXCBRJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1C=NC(S1)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.098g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.311g/mol
Monoisotopic Mass:
215.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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