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438565-34-5 | (3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHANOL
CAS No: 438565-34-5 Catalog No: AG00D8D0 MDL No:MFCD06738495
Product Description
Catalog Number:
AG00D8D0
Chemical Name:
(3-BENZO[1,3]DIOXOL-5-YL-ISOXAZOL-5-YL)-METHANOL
CAS Number:
438565-34-5
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD06738495
IUPAC Name:
[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C11H9NO4/c13-5-8-4-9(12-16-8)7-1-2-10-11(3-7)15-6-14-10/h1-4,13H,5-6H2
InChI Key:
ZHPSCWJFYANYDL-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1ccc2c(c1)OCO2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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