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925006-39-9 | 4-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)thiazol-2-ol
CAS No: 925006-39-9 Catalog No: AG00652D MDL No:MFCD11632168
Product Description
Catalog Number:
AG00652D
Chemical Name:
4-(2,3-dihydrobenzo[b][1,4]dioxin-7-yl)thiazol-2-ol
CAS Number:
925006-39-9
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD11632168
IUPAC Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3H-1,3-thiazol-2-one
InChI:
InChI=1S/C11H9NO3S/c13-11-12-8(6-16-11)7-1-2-9-10(5-7)15-4-3-14-9/h1-2,5-6H,3-4H2,(H,12,13)
InChI Key:
FKDJRMBJHXFWHJ-UHFFFAOYSA-N
SMILES:
Oc1scc(n1)c1ccc2c(c1)OCCO2
Properties
Complexity:
331
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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