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3-Methylglutaric Acid

CAT: 0572-TRC-M311608-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M311608-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
626-51-7
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CC(CC(=O)O)CC(=O)O
Molecular Formula
C6 H10 O4
Molecular Weight
146.14
InChI
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
Additionnal Information
IUPAC name: 3-methylpentanedioic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Methylglutaric acid

3-methylglutaric acid is an alpha,-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group. It has a role as a metabolite. It is functionally related to a glutaric acid.

CAS Number626-51-7
PubChem CID12284
IUPAC Name3-methylpentanedioic acid
Molecular FormulaC6H10O4
Molecular Weight146.14
XLogP0.1
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count10
Formal Charge0
Complexity125
SMILES
CC(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
XJMMNTGIMDZPMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylglutaric acid
CAS: 626-51-7
CID: 12284
Formula: C6H10O4
MW: 146.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.14
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass146.05790880
Monoisotopic Mass146.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity125
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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