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Indole-3-acetaldoxime

CAT: 0572-TRC-I577495-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I577495-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2776-06-9
Hazard Statement
No Data Available
Smiles
O\N=C\Cc1c[nH]c2ccccc12
Molecular Formula
C10 H10 N2 O
Molecular Weight
174.199
InChI
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+
Additionnal Information
IUPAC name: (NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
Shipping Conditions
Room Temperature

Chemical Information

Indole-3-acetaldoxime

(E)-indol-3-ylacetaldehyde oxime is an indol-3-ylacetaldehyde oxime in which the oxime moiety has E configuration.

CAS Number2776-06-9
PubChem CID5371769
IUPAC Name(NE)-N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine
Molecular FormulaC10H10N2O
Molecular Weight174.20
XLogP1.6
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity193
SMILES
C1=CC=C2C(=C1)C(=CN2)C/C=N/O
InChI
InChI=1S/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2/b12-6+
InChIKey
ZLIGRGHTISHYNH-WUXMJOGZSA-N
Chemical Structure
2D Structure
2D structure of Indole-3-acetaldoxime
CAS: 2776-06-9
CID: 5371769
Formula: C10H10N2O
MW: 174.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.20
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass174.079312947
Monoisotopic Mass174.079312947
Topological Polar Surface Area48.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity193
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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