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475059-74-6 | (4-tert-butyl-1,3-thiazol-2-yl)methanol
CAS No: 475059-74-6 Catalog No: AG00DD89 MDL No:MFCD12827486
Product Description
Catalog Number:
AG00DD89
Chemical Name:
(4-tert-butyl-1,3-thiazol-2-yl)methanol
CAS Number:
475059-74-6
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
MDL Number:
MFCD12827486
IUPAC Name:
(4-tert-butyl-1,3-thiazol-2-yl)methanol
InChI:
InChI=1S/C8H13NOS/c1-8(2,3)6-5-11-7(4-10)9-6/h5,10H,4H2,1-3H3
InChI Key:
OQMKVPYMYZSPCO-UHFFFAOYSA-N
SMILES:
OCc1scc(n1)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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