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(E) -Benzaldoxime

CAT: 1596-AR-M02892-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02892-02Size:25 Units
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CAS Number
622-31-1
Molecular Formula
C7H7NO

Chemical Information

Benzaldehyde Oxime
CAS Number622-31-1
PubChem CID5324611
IUPAC Name(NE)-N-benzylidenehydroxylamine
Molecular FormulaC7H7NO
Molecular Weight121.14
XLogP1.9
Topological Polar Surface Area32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity95
SMILES
C1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
InChIKey
VTWKXBJHBHYJBI-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde Oxime
CAS: 622-31-1
CID: 5324611
Formula: C7H7NO
MW: 121.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight121.14
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass121.052763847
Monoisotopic Mass121.052763847
Topological Polar Surface Area32.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity95.1
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

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