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Dimethyl Bis(hydroxymethyl)malonate

CAT: 0572-TRC-D467520-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D467520-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35329-73-8
Hazard Statement
No Data Available
Smiles
COC(=O)C(CO)(CO)C(=O)OC
Molecular Formula
C7 H12 O6
Molecular Weight
192.17
InChI
InChI=1S/C7H12O6/c1-12-5(10)7(3-8,4-9)6(11)13-2/h8-9H,3-4H2,1-2H3
Additionnal Information
IUPAC name: dimethyl 2,2-bis(hydroxymethyl)propanedioate
Shipping Conditions
Room Temperature

Chemical Information

Dimethyl 2,2-bis(hydroxymethyl)malonate
CAS Number35329-73-8
PubChem CID12647886
IUPAC Namedimethyl 2,2-bis(hydroxymethyl)propanedioate
Molecular FormulaC7H12O6
Molecular Weight192.17
XLogP-1.4
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
COC(=O)C(CO)(CO)C(=O)OC
InChI
InChI=1S/C7H12O6/c1-12-5(10)7(3-8,4-9)6(11)13-2/h8-9H,3-4H2,1-2H3
InChIKey
YOILECYJGFXOJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl 2,2-bis(hydroxymethyl)malonate
CAS: 35329-73-8
CID: 12647886
Formula: C7H12O6
MW: 192.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.17
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass192.06338810
Monoisotopic Mass192.06338810
Topological Polar Surface Area93.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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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Alternative Products

CatalogName
010277Dimethyl Bis (hydroxymethyl) malonate
MBS6064626-01Dimethyl Bis(hydroxymethyl)malonate
OR91541Dimethyl 2,2-bis (hydroxymethyl) malonate
13203-05Dimethyl Malonate
104630 500Dimethyl Malonate For Synthesis
AR-M03808-01Dimethyl Malonate-13C3
HY-Y1787R-01Dimethyl malonate (Standard)
447198-01Dimethyl Malonate-d2
PC107981Dimethyl (trifluoromethyl) malonate
273401-01Diethyl bis (hydroxymethyl) malonate

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