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Malonic acid calcium salt

CAT: 0286-M01230Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-M01230Size:100 g
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CAS Number
19455-76-6
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00045911
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

Calcium malonate
CAS Number19455-76-6
PubChem CID517114
IUPAC Namecalcium propanedioate
Molecular FormulaC3H2CaO4
Molecular Weight142.12
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
C(C(=O)[O-])C(=O)[O-].[Ca+2]
InChI
InChI=1S/C3H4O4.Ca/c4-2(5)1-3(6)7;/h1H2,(H,4,5)(H,6,7);/q;+2/p-2
InChIKey
MLMODXBPCNLAGP-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Calcium malonate
CAS: 19455-76-6
CID: 517114
Formula: C3H2CaO4
MW: 142.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.12
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass141.9578994
Monoisotopic Mass141.9578994
Topological Polar Surface Area80.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
M8870-01MALONIC ACID DISODIUM SALT
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BIC0607-01Folinic acid calcium salt
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