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1194374-23-6 | Isoxazole, 5-(3-methoxyphenyl)-
CAS No: 1194374-23-6 Catalog No: AG000IRH MDL No:
Product Description
Catalog Number:
AG000IRH
Chemical Name:
Isoxazole, 5-(3-methoxyphenyl)-
CAS Number:
1194374-23-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
5-(3-methoxyphenyl)-1,2-oxazole
InChI:
InChI=1S/C10H9NO2/c1-12-9-4-2-3-8(7-9)10-5-6-11-13-10/h2-7H,1H3
InChI Key:
FDZRTKRNZFFBEC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccno1
Properties
Complexity:
163
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
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