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2059178-05-9 | 2,4,6-TRIHYDROXYBENZALDEHYDE OXIME
CAS No: 2059178-05-9 Catalog No: AG01EJN9 MDL No:MFCD03410422
Product Description
Catalog Number:
AG01EJN9
Chemical Name:
2,4,6-TRIHYDROXYBENZALDEHYDE OXIME
CAS Number:
2059178-05-9
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD03410422
IUPAC Name:
2-[(E)-hydroxyiminomethyl]benzene-1,3,5-triol
InChI:
InChI=1S/C7H7NO4/c9-4-1-6(10)5(3-8-12)7(11)2-4/h1-3,9-12H/b8-3+
InChI Key:
CLAXAYPJZQMUHY-FPYGCLRLSA-N
SMILES:
ON=Cc1c(O)cc(cc1O)O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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