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2-Methyl Hippuric Acid-d2

CAT: 0572-TRC-M311982-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M311982-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185100-98-4
Synonyms
2,2-Dideuterio-2-[(2-methylbenzoyl)amino]acetic acid; N-(2-Methylbenzoyl)glycine-2,2-D2; N-(2-Methylbenzoyl)glycine-d2; 2-Methylhippuric acid-d2; 2-[(2-Methylbenzoyl)amino]acetic-2,2-d2 acid; o-Methylhippuric acid-d2; o-Toluric acid-d2; 2-Methyl hippuric acid-d2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
[2H]C([2H])(NC(=O)c1ccccc1C)C(=O)O
Molecular Formula
C10 D2 H9 N O3
Molecular Weight
195.212
InChI
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)/i6D2
Additionnal Information
IUPAC name: 2,2-dideuterio-2-[(2-methylbenzoyl)amino]acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-(2-Methylbenzoyl)glycine-2,2-d2
CAS Number1185100-98-4
PubChem CID46782261
IUPAC Name2,2-dideuterio-2-[(2-methylbenzoyl)amino]acetic acid
Molecular FormulaC10H11NO3
Molecular Weight195.21
XLogP0.7
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity227
SMILES
[2H]C([2H])(C(=O)O)NC(=O)C1=CC=CC=C1C
InChI
InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)/i6D2
InChIKey
YOEBAVRJHRCKRE-NCYHJHSESA-N
Chemical Structure
2D Structure
2D structure of N-(2-Methylbenzoyl)glycine-2,2-d2
CAS: 1185100-98-4
CID: 46782261
Formula: C10H11NO3
MW: 195.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.21
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass195.086446705
Monoisotopic Mass195.086446705
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
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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sc-2162392-Methyl Hippuric Acid-d2
282419-012-Methyl hippuric acid
sc-2162402-Methyl Hippuric Acid-d7
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