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3973-09-9 | 2-Benzothiazolepropanol(8CI,9CI)
CAS No: 3973-09-9 Catalog No: AG00CPBJ MDL No:MFCD09926855
Product Description
Catalog Number:
AG00CPBJ
Chemical Name:
2-Benzothiazolepropanol(8CI,9CI)
CAS Number:
3973-09-9
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD09926855
IUPAC Name:
3-(1,3-benzothiazol-2-yl)propan-1-ol
InChI:
InChI=1S/C10H11NOS/c12-7-3-6-10-11-8-4-1-2-5-9(8)13-10/h1-2,4-5,12H,3,6-7H2
InChI Key:
KMLSXNKQAWAPBC-UHFFFAOYSA-N
SMILES:
OCCCc1nc2c(s1)cccc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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