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79685-57-7 | 4-Thiazolebutanol
CAS No: 79685-57-7 Catalog No: AG008LNH MDL No:
Product Description
Catalog Number:
AG008LNH
Chemical Name:
4-Thiazolebutanol
CAS Number:
79685-57-7
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
IUPAC Name:
4-(1,3-thiazol-4-yl)butan-1-ol
InChI:
InChI=1S/C7H11NOS/c9-4-2-1-3-7-5-10-6-8-7/h5-6,9H,1-4H2
InChI Key:
MXRILYGHQGAJEB-UHFFFAOYSA-N
SMILES:
OCCCCc1cscn1
Properties
Complexity:
89.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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