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Dodecane-[d20]-1,12-Dioic Acid

CAT: 0286-D55981Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-D55981Size:5 g
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CAS Number
89613-32-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00053324
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
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

(~2~H_20_)Dodecanedioic acid
CAS Number89613-32-1
PubChem CID16212954
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosadeuteriododecanedioic acid
Molecular FormulaC12H22O4
Molecular Weight250.42
XLogP3.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count16
Formal Charge0
Complexity179
SMILES
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O
InChI
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2
InChIKey
TVIDDXQYHWJXFK-KHKAULECSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_20_)Dodecanedioic acid
CAS: 89613-32-1
CID: 16212954
Formula: C12H22O4
MW: 250.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.42
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass250.27734410
Monoisotopic Mass250.27734410
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity179
Isotope Atom Count20
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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