Carboplatin Impurity B (Cyclobutane-1,1-dicarboxylic acid)

Product Information

Molecular Formula:
C6H8O4
Molecular Weight:
144.13
Description
an impurity of Carboplatin
Synonyms
1,1-Cyclobutanedicarboxylic acid
IUPAC Name
cyclobutane-1,1-dicarboxylic acid
Canonical SMILES
C1CC(C1)(C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)
InChI Key
CCQPAEQGAVNNIA-UHFFFAOYSA-N
Melting Point
157-161 ºC
Purity
> 95%
Appearance
White to Almost white powder to crystal

Safety Information

Hazards
H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3
0.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
144.04225873 g/mol
Monoisotopic Mass
144.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
164
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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