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Auxinole

CAT: 0572-TRC-A794595-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A794595-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86445-22-9
Synonyms
alpha-[2-(2,4-Dimethylphenyl)-2-oxoethyl]-1H-Indole-3-acetic Acid;
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
Cc1ccc(C(=O)CC(C(=O)O)c2c[nH]c3ccccc23)c(C)c1
Molecular Formula
C20H19NO3
Molecular Weight
321.37
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Auxinole
CAS Number86445-22-9
PubChem CID13077496
IUPAC Name4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Molecular FormulaC20H19NO3
Molecular Weight321.4
XLogP3.6
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity478
SMILES
CC1=CC(=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O)C
InChI
InChI=1S/C20H19NO3/c1-12-7-8-14(13(2)9-12)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChIKey
HGUYAIJBXSQXGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Auxinole
CAS: 86445-22-9
CID: 13077496
Formula: C20H19NO3
MW: 321.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass321.13649347
Monoisotopic Mass321.13649347
Topological Polar Surface Area70.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
525745Auxinole
A19909-1Auxinole 1mg
A19909-50Auxinole 50mg
A19909-25Auxinole 25mg
A19909-500Auxinole 500mg
A19909-100Auxinole 100mg
A19909-10Auxinole 10mg
A19909-5Auxinole 5mg
A19909-10mM-DAuxinole 10mM * 1mL in DMSO

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