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89814-12-0 | 5-Isoxazolol, 4,5-dihydro-3-(2-hydroxyphenyl)-
CAS No: 89814-12-0 Catalog No: AG0086M8 MDL No:MFCD00218654
Product Description
Catalog Number:
AG0086M8
Chemical Name:
5-Isoxazolol, 4,5-dihydro-3-(2-hydroxyphenyl)-
CAS Number:
89814-12-0
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD00218654
IUPAC Name:
3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-ol
InChI:
InChI=1S/C9H9NO3/c11-8-4-2-1-3-6(8)7-5-9(12)13-10-7/h1-4,9,11-12H,5H2
InChI Key:
RHNDTNLESILMIW-UHFFFAOYSA-N
SMILES:
OC1ON=C(C1)c1ccccc1O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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