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103440-65-9 | 6-Benzothiazolemethanol,2-methyl-(6CI)
CAS No: 103440-65-9 Catalog No: AG0091BZ MDL No:MFCD02940901
Product Description
Catalog Number:
AG0091BZ
Chemical Name:
6-Benzothiazolemethanol,2-methyl-(6CI)
CAS Number:
103440-65-9
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD02940901
IUPAC Name:
(2-methyl-1,3-benzothiazol-6-yl)methanol
InChI:
InChI=1S/C9H9NOS/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-4,11H,5H2,1H3
InChI Key:
KMABUKKLVPBEIB-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)sc(n2)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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