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Home > Thiazole > 1267558-97-3
1267558-97-3 | (2-tert-butyl-1,3-thiazol-5-yl)methanol
CAS No: 1267558-97-3 Catalog No: AG01BERF MDL No:MFCD18271526
Product Description
Catalog Number:
AG01BERF
Chemical Name:
(2-tert-butyl-1,3-thiazol-5-yl)methanol
CAS Number:
1267558-97-3
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD18271526
IUPAC Name:
(2-tert-butyl-1,3-thiazol-5-yl)methanol
InChI:
InChI=1S/C8H13NOS/c1-8(2,3)7-9-4-6(5-10)11-7/h4,10H,5H2,1-3H3
InChI Key:
AGNNILFVQBALLT-UHFFFAOYSA-N
SMILES:
OCc1cnc(s1)C(C)(C)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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