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5470-95-1 | (Z)-2,3-Dimethoxybenzaldehyde oxime
CAS No: 5470-95-1 Catalog No: AG003FJJ MDL No:MFCD00033234
Product Description
Catalog Number:
AG003FJJ
Chemical Name:
(Z)-2,3-Dimethoxybenzaldehyde oxime
CAS Number:
5470-95-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD00033234
IUPAC Name:
(NE)-N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H11NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-6,11H,1-2H3/b10-6+
InChI Key:
GKAIQNACVNFHCU-UXBLZVDNSA-N
SMILES:
O/N=C/c1cccc(c1OC)OC
NSC Number:
27024
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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