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4-ethoxybenzaldehyde oxime

CAT: 0024-sc-277366Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-277366Size:1 g
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CAS Number
61096-94-4

Chemical Information

4-Ethoxybenzaldehyde oxime
CAS Number61096-94-4
PubChem CID6904186
IUPAC Name(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine
Molecular FormulaC9H11NO2
Molecular Weight165.19
XLogP2.4
Topological Polar Surface Area41.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
CCOC1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C9H11NO2/c1-2-12-9-5-3-8(4-6-9)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKey
RVWVABYZHRUUEC-JXMROGBWSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethoxybenzaldehyde oxime
CAS: 61096-94-4
CID: 6904186
Formula: C9H11NO2
MW: 165.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.19
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass165.078978594
Monoisotopic Mass165.078978594
Topological Polar Surface Area41.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes