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1105191-28-3 | [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methanol
CAS No: 1105191-28-3 Catalog No: AG00JG2L MDL No:MFCD11986426
Product Description
Catalog Number:
AG00JG2L
Chemical Name:
[5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methanol
CAS Number:
1105191-28-3
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD11986426
IUPAC Name:
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C11H9NO4/c13-5-8-4-10(16-12-8)7-1-2-9-11(3-7)15-6-14-9/h1-4,13H,5-6H2
InChI Key:
WBUGIOKLFAAOHG-UHFFFAOYSA-N
SMILES:
OCc1noc(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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