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Indole-3-Acetic-d2 Acid

CAT: 0572-TRC-I708205-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I708205-10MGSize:10 mg
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CAS Number
24420-86-8
Synonyms
1H-Indole-3-acetic acid D2 (carboxymethyl-D2); 1H-Indole-3-acetic-α,α-d2 acid; Indole-3-acetic-α,α-d2 acid (8CI); 2,2-Dideuterio-2-(1H-indol-3-yl)acetic acid; 2-(3-Indolyl)acetic-2,2-d2 acid; 3-Indolylacetic acid-d2
Hazard Statement
Harmful if inhaled
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(C(=O)O)c1c[nH]c2ccccc12
Molecular Formula
C10 2H2 H7 N O2
Molecular Weight
177.2
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i5D2
Additionnal Information
IUPAC name: 2,2-dideuterio-2-(1H-indol-3-yl)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(1H-Indol-3-yl)(~2~H_2_)acetic acid
CAS Number24420-86-8
PubChem CID16213582
IUPAC Name2,2-dideuterio-2-(1H-indol-3-yl)acetic acid
Molecular FormulaC10H9NO2
Molecular Weight177.20
XLogP1.4
Topological Polar Surface Area53.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity205
SMILES
[2H]C([2H])(C1=CNC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i5D2
InChIKey
SEOVTRFCIGRIMH-BFWBPSQCSA-N
Chemical Structure
2D Structure
2D structure of (1H-Indol-3-yl)(~2~H_2_)acetic acid
CAS: 24420-86-8
CID: 16213582
Formula: C10H9NO2
MW: 177.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight177.20
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass177.075882022
Monoisotopic Mass177.075882022
Topological Polar Surface Area53.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity205
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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