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Á-Benzoin Oxime AR

CAT: 1507-38200025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1507-38200025Size:25 mg
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CAS Number
441-38-3
HSN Code
29143990

Chemical Information

(+-)-Benzoin oxime
CAS Number441-38-3
PubChem CID9924
IUPAC Name2-hydroxyimino-1,2-diphenylethanol
Molecular FormulaC14H13NO2
Molecular Weight227.26
XLogP2.4
Topological Polar Surface Area52.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity253
SMILES
C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O
InChI
InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H
InChIKey
WAKHLWOJMHVUJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (+-)-Benzoin oxime
CAS: 441-38-3
CID: 9924
Formula: C14H13NO2
MW: 227.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight227.26
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass227.094628657
Monoisotopic Mass227.094628657
Topological Polar Surface Area52.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity253
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes