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5-Hydroxyindole-3-acetic acid-d2

CAT: 0926-GCA20931-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-GCA20931-01Size:1 mg
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CAS Number
56209-31-5
MDL Number
MFCD01073943
Smiles
C1=CC2=C (C=C1O) C (=CN2) CC (=O) O
Molecular Formula
C10H7D2NO3
Molecular Weight
193.2 g/mol
Controlled
No

Chemical Information

5-Hydroxyindole-3-acetic-2,2-d2 acid
CAS Number56209-31-5
PubChem CID90473541
IUPAC Name2,2-dideuterio-2-(5-hydroxy-1H-indol-3-yl)acetic acid
Molecular FormulaC10H9NO3
Molecular Weight193.20
XLogP1.1
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
[2H]C([2H])(C1=CNC2=C1C=C(C=C2)O)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)/i3D2
InChIKey
DUUGKQCEGZLZNO-SMZGMGDZSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyindole-3-acetic-2,2-d2 acid
CAS: 56209-31-5
CID: 90473541
Formula: C10H9NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.070796641
Monoisotopic Mass193.070796641
Topological Polar Surface Area73.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
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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Alternative Products

CatalogName
sc-4886565-Hydroxyindole-3-acetic acid-D2
CS-T-286955-Hydroxyindole-3-acetic Acid
MBS342197-015-Hydroxyindole Acetic Acid
HY-W008253S15-Hydroxyindole-3-acetic acid-d6
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TRC-H953605-500MG5-Hydroxyindole-3-acetic Acid(>90%)
sc-4886555-Hydroxyindole-3-acetic acid-D5
CS-T-564615-Hydroxyindole-3-acetic Acid D5
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