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113396-53-5 | Ethanone, 1-(2-azido-3,6-dihydroxyphenyl)-
CAS No: 113396-53-5 Catalog No: AG0008F3 MDL No:
Product Description
Catalog Number:
AG0008F3
Chemical Name:
Ethanone, 1-(2-azido-3,6-dihydroxyphenyl)-
CAS Number:
113396-53-5
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
IUPAC Name:
1-(2-azido-3,6-dihydroxyphenyl)ethanone
InChI:
InChI=1S/C8H7N3O3/c1-4(12)7-5(13)2-3-6(14)8(7)10-11-9/h2-3,13-14H,1H3
InChI Key:
KTEURHGTGJUGOY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(O)ccc(c1C(=O)C)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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