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Dimethachlor Oxalic Acid

CAT: 0572-TRC-D460278-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460278-50MGSize:50 mg
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CAS Number
1086384-49-7
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COCCN(C(=O)C(=O)O)c1c(C)cccc1C
Molecular Formula
C13 H17 N O4
Molecular Weight
251.28
InChI
InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
Additionnal Information
IUPAC name: 2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoacetic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dimethachlor OXA

Dimethachlor OXA is a monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It has a role as a marine xenobiotic metabolite. It is a monocarboxylic acid, an ether and an aromatic amide.

CAS Number1086384-49-7
PubChem CID86290105
IUPAC Name2-[N-(2-methoxyethyl)-2,6-dimethylanilino]-2-oxoacetic acid
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP1.8
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity295
SMILES
CC1=C(C(=CC=C1)C)N(CCOC)C(=O)C(=O)O
InChI
InChI=1S/C13H17NO4/c1-9-5-4-6-10(2)11(9)14(7-8-18-3)12(15)13(16)17/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKey
MHGMSAFPNAKIRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethachlor OXA
CAS: 1086384-49-7
CID: 86290105
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area66.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity295
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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