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(S)-(+)-2-Methylglutaric Acid

CAT: 0572-TRC-M220090-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M220090-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1115-82-8
Synonyms
(S)-(+)-2-Methylglutaric Acid
Hazard Statement
No Data Available
Smiles
C[C@@H](CCC(=O)O)C(=O)O
Molecular Formula
C6 H10 O4
Molecular Weight
146.141
InChI
InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-methylpentanedioic acid
Shipping Conditions
Room Temperature

Chemical Information

2-Methylglutaric acid, (+)-
CAS Number1115-82-8
PubChem CID3246694
IUPAC Name(2S)-2-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
Complexity141
SMILES
C[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
AQYCMVICBNBXNA-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylglutaric acid, (+)-
CAS: 1115-82-8
CID: 3246694
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
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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