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18803-02-6 | 5-Methoxy-3-phenylisoxazole
CAS No: 18803-02-6 Catalog No: AG00B6M3 MDL No:MFCD00464106
Product Description
Catalog Number:
AG00B6M3
Chemical Name:
5-Methoxy-3-phenylisoxazole
CAS Number:
18803-02-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00464106
IUPAC Name:
5-methoxy-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H9NO2/c1-12-10-7-9(11-13-10)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
OFEKSAHEQDFLIQ-UHFFFAOYSA-N
SMILES:
COc1onc(c1)c1ccccc1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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