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trans-Benzaldoxime

CAT: 0572-TRC-B183750-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B183750-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
622-31-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O\N=C\c1ccccc1
Molecular Formula
C7 H7 N O
Molecular Weight
121.14
InChI
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/b8-6+
Additionnal Information
IUPAC name: (NE)-N-benzylidenehydroxylamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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...
View on PubChemRaw 3D data
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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Alternative Products

CatalogName
262194-01Trans-Benzaldoxime
OR4290-01Benzaldoxime
RM-B052902-01(Z) -Benzaldoxime
RM-B052901-01(E) -Benzaldoxime
MBS6074454-01anti-Benzaldoxime
PC4082822- (Trifluoromethylthio) benzaldoxime
sc-2606013- (Trifluoromethyl) benzaldoxime
sc-2615174- (Trifluoromethoxy) benzaldoxime
FD66859-014- (N, N-Dimethylamino) benzaldoxime
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