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Hydrocinnamic acid-2,3-13C2

CAT: 0804-HY-Y1088SSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1088SSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hydrocinnamic acid-2,3-13C2 is the 13C-labeled Hydrocinnamic acid. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities.
CAS Number
286367-71-3
Product Name Alternative
3-Phenylpropionic acid-2,3-13C2; 3-Phenylpropanoic acid-2,3-13C2; 3-Phenyl-n-propionic acid-2,3-13C2
UNSPSC
12352005
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/hydrocinnamic-acid-2-3-13c2.html
Solubility
10 mM in DMSO
Smiles
OC([13CH2][13CH2]C1=CC=CC=C1)=O
Molecular Formula
C7 13C2H10O2
Molecular Weight
152.16
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Tang CS, et al. Collection and Identification of Allelopathic Compounds from the Undisturbed Root System of Bigalta Limpograss (Hemarthria altissima) . Plant Physiol. 1982 Jan;69 (1) :155-60.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-Phenyl(2,3-~13~C_2_)propanoic acid
CAS Number286367-71-3
PubChem CID16213357
IUPAC Name3-phenyl(2,3-13C2)propanoic acid
Molecular FormulaC9H10O2
Molecular Weight152.16
XLogP1.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
C1=CC=C(C=C1)[13CH2][13CH2]C(=O)O
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/i6+1,7+1
InChIKey
XMIIGOLPHOKFCH-AKZCFXPHSA-N
Chemical Structure
2D Structure
2D structure of 3-Phenyl(2,3-~13~C_2_)propanoic acid
CAS: 286367-71-3
CID: 16213357
Formula: C9H10O2
MW: 152.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.16
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.074789228
Monoisotopic Mass152.074789228
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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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