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248249-56-1 | 4-Thiazolemethanol, 2-(1,3-benzodioxol-5-yl)-
CAS No: 248249-56-1 Catalog No: AG002PJX MDL No:MFCD06738379
Product Description
Catalog Number:
AG002PJX
Chemical Name:
4-Thiazolemethanol, 2-(1,3-benzodioxol-5-yl)-
CAS Number:
248249-56-1
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD06738379
IUPAC Name:
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methanol
InChI:
InChI=1S/C11H9NO3S/c13-4-8-5-16-11(12-8)7-1-2-9-10(3-7)15-6-14-9/h1-3,5,13H,4,6H2
InChI Key:
TZLASXJUHCBKSL-UHFFFAOYSA-N
SMILES:
OCc1csc(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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