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763109-37-1 | (5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOL-3-YL)METHANOL
CAS No: 763109-37-1 Catalog No: AG00G5TA MDL No:MFCD06199343
Product Description
Catalog Number:
AG00G5TA
Chemical Name:
(5-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-7-YL)ISOXAZOL-3-YL)METHANOL
CAS Number:
763109-37-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
MDL Number:
MFCD06199343
IUPAC Name:
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C12H11NO4/c14-7-9-6-11(17-13-9)8-1-2-10-12(5-8)16-4-3-15-10/h1-2,5-6,14H,3-4,7H2
InChI Key:
QNKJCCWGHUHDOS-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)c1ccc2c(c1)OCCO2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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