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30709-72-9 | 5-Thiazolecarboxylic acid, 2-hexyl-
CAS No: 30709-72-9 Catalog No: AG00311T MDL No:
Product Description
Catalog Number:
AG00311T
Chemical Name:
5-Thiazolecarboxylic acid, 2-hexyl-
CAS Number:
30709-72-9
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
IUPAC Name:
2-hexyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C10H15NO2S/c1-2-3-4-5-6-9-11-7-8(14-9)10(12)13/h7H,2-6H2,1H3,(H,12,13)
InChI Key:
CSBYBAUWNDBZMC-UHFFFAOYSA-N
SMILES:
CCCCCCc1ncc(s1)C(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.295g/mol
Monoisotopic Mass:
213.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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