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119162-46-8 | 5-Isoxazolamine, 3-(3-methoxyphenyl)-
CAS No: 119162-46-8 Catalog No: AG000IA2 MDL No:MFCD07383035
Product Description
Catalog Number:
AG000IA2
Chemical Name:
5-Isoxazolamine, 3-(3-methoxyphenyl)-
CAS Number:
119162-46-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD07383035
IUPAC Name:
3-(3-methoxyphenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C10H10N2O2/c1-13-8-4-2-3-7(5-8)9-6-10(11)14-12-9/h2-6H,11H2,1H3
InChI Key:
GFZSBBXGHNWHSF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1noc(c1)N
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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