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1673-43-4 | 1,3,4-Oxadiazol-2-amine, 5-(3,4,5-trimethoxyphenyl)-
CAS No: 1673-43-4 Catalog No: AG001XAE MDL No:MFCD01710626
Product Description
Catalog Number:
AG001XAE
Chemical Name:
1,3,4-Oxadiazol-2-amine, 5-(3,4,5-trimethoxyphenyl)-
CAS Number:
1673-43-4
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD01710626
IUPAC Name:
5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C11H13N3O4/c1-15-7-4-6(10-13-14-11(12)18-10)5-8(16-2)9(7)17-3/h4-5H,1-3H3,(H2,12,14)
InChI Key:
UKCTUJXIEPYWIO-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nnc(o1)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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