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94977-59-0 | 4-Benzothiazolol, 2-methyl-
CAS No: 94977-59-0 Catalog No: AG00IIO3 MDL No:
Product Description
Catalog Number:
AG00IIO3
Chemical Name:
4-Benzothiazolol, 2-methyl-
CAS Number:
94977-59-0
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
IUPAC Name:
2-methyl-1,3-benzothiazol-4-ol
InChI:
InChI=1S/C8H7NOS/c1-5-9-8-6(10)3-2-4-7(8)11-5/h2-4,10H,1H3
InChI Key:
VMCGTNGBEAOSOJ-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c(O)ccc2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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