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IAC : Summary
Code 
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IAC
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One-letter code 
|
X
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Molecule name 
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1H-INDOL-3-YLACETIC ACID
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Synonyms 
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INDOLE ACETIC ACID
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Systematic names 
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Formula 
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C10 H9 N O2
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Formal charge 
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0
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Molecular weight 
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175.184 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=C(O)Cc2c1ccccc1nc2 |
SMILES
|
CACTVS |
3.370 |
OC(=O)Cc1c[nH]c2ccccc12 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)c(c[nH]2)CC(=O)O |
Canonical SMILES
|
CACTVS |
3.370 |
OC(=O)Cc1c[nH]c2ccccc12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc2c(c1)c(c[nH]2)CC(=O)O |
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IUPAC 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) |
IUPAC InChI key  | SEOVTRFCIGRIMH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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22 (13 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2007-02-23
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Last modified at 
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2021-03-01
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Status 
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Released
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Obsoleted 
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Not Assigned
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