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Diethyl bis (hydroxymethyl) malonate

CAT: 0286-D21260Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D21260Size:25 g
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CAS Number
20605-01-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009130
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester
CAS Number20605-01-0
PubChem CID311844
IUPAC Namediethyl 2,2-bis(hydroxymethyl)propanedioate
Molecular FormulaC9H16O6
Molecular Weight220.22
XLogP-0.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity201
SMILES
CCOC(=O)C(CO)(CO)C(=O)OCC
InChI
InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
InChIKey
WIOHBOKEUIHYIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propanedioic acid, 2,2-bis(hydroxymethyl)-, 1,3-diethyl ester
CAS: 20605-01-0
CID: 311844
Formula: C9H16O6
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass220.09468823
Monoisotopic Mass220.09468823
Topological Polar Surface Area93.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity201
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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