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Indole-3-pyruvic Acid

CAT: 0572-TRC-I627180-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I627180-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
392-12-1
Synonyms
α-Oxo-1H-indole-3-propanoic Acid; Indolepyruvic Acid; 1H-Indole-3-pyruvic Acid; 3-(3-Indolyl)-2-oxopropanoic Acid; 3-(3-Indolyl)pyruvic Acid; 3-Indolylpyroracemic Acid; 3-Indolylpyruvic Acid; Indole-3-pyruvate; Indolyl-3-pyruvate; NSC 88874; POL 240; β-Indolepyruvic Acid; β-Indolylpyruvic Acid
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
OC(=O)C(=O)Cc1c[nH]c2ccccc12
Molecular Formula
C11 H9 N O3
Molecular Weight
203.19
InChI
InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
Additionnal Information
IUPAC name: 3-(1H-indol-3-yl)-2-oxo-propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Indole-3-pyruvic acid

3-(indol-3-yl)pyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an indol-3-yl carboxylic acid and a 2-oxo monocarboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-(indol-3-yl)pyruvate.

CAS Number392-12-1
PubChem CID803
IUPAC Name3-(1H-indol-3-yl)-2-oxopropanoic acid
Molecular FormulaC11H9NO3
Molecular Weight203.19
XLogP1.3
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity277
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O
InChI
InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
InChIKey
RSTKLPZEZYGQPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indole-3-pyruvic acid
CAS: 392-12-1
CID: 803
Formula: C11H9NO3
MW: 203.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight203.19
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass203.058243149
Monoisotopic Mass203.058243149
Topological Polar Surface Area70.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity277
Isotope Atom Count0
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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