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Dimethyl (S) - (-) -Methylsuccinate

CAT: 0024-sc-294350ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-294350ASize:25 g
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CAS Number
63163-08-6

Chemical Information

(S)-Dimethyl 2-methylsuccinate
CAS Number63163-08-6
PubChem CID9964174
IUPAC Namedimethyl (2S)-2-methylbutanedioate
Molecular FormulaC7H12O4
Molecular Weight160.17
XLogP0.4
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count11
Formal Charge0
Complexity153
SMILES
C[C@@H](CC(=O)OC)C(=O)OC
InChI
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3/t5-/m0/s1
InChIKey
NFOQJNGQQXICBY-YFKPBYRVSA-N
Chemical Structure
2D Structure
2D structure of (S)-Dimethyl 2-methylsuccinate
CAS: 63163-08-6
CID: 9964174
Formula: C7H12O4
MW: 160.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.17
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass160.07355886
Monoisotopic Mass160.07355886
Topological Polar Surface Area52.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity153
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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Alternative Products

CatalogName
OR942307-01Dimethyl methylsuccinate
274520-01Dimethyl (S) - (-) -Methylsuccinate
274519-01Dimethyl (R) - (+) -Methylsuccinate
T4948Potassium 2-hydroxy-2-methylsuccinate
HY-W747213Diethyl 2-hydroxy-3-methylsuccinate-13C
GTR19203502-01Chlorthal-dimethyl
GTR19201894Dimethyl capramide
FD62526Dimethyl Phthalate
FD40109-01Dimethyl glutarate
FD34694-01Dimethyl chlorothiophosphate

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