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893603-87-7 | 4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-ol
CAS No: 893603-87-7 Catalog No: AG00JW6Y MDL No:MFCD07371408
Product Description
Catalog Number:
AG00JW6Y
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-ol
CAS Number:
893603-87-7
Molecular Formula:
C10H7NO3S
Molecular Weight:
221.2325
MDL Number:
MFCD07371408
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C10H7NO3S/c12-10-11-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H,11,12)
InChI Key:
CEUZADRQHQQZQN-UHFFFAOYSA-N
SMILES:
Oc1scc(n1)c1ccc2c(c1)OCO2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.23g/mol
Monoisotopic Mass:
221.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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