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123320-44-5 | 5-Isoxazolemethanol, 3-(phenylmethoxy)-
CAS No: 123320-44-5 Catalog No: AG000KCF MDL No:MFCD23135734
Product Description
Catalog Number:
AG000KCF
Chemical Name:
5-Isoxazolemethanol, 3-(phenylmethoxy)-
CAS Number:
123320-44-5
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD23135734
IUPAC Name:
(3-phenylmethoxy-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2
InChI Key:
HHYMUVTUFJYDSQ-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)OCc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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