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Cyclopropylcarboxylic acid-d5

CAT: 0804-HY-W064054Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W064054Size:1 Each
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Description
Cyclopropylcarboxylic acid-d5 (Carboxycyclopropane-d5) is a deuterium labeled Cyclopropylcarboxylic acid. Cyclopropylcarboxylic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
CAS Number
1219804-09-7
Product Name Alternative
Carboxycyclopropane-d5; Cyclopropionic acid-d5
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C(O)C1(C([2H])(C1([2H])[2H])[2H])[2H]
Molecular Formula
C4HD5O2
Molecular Weight
91.12
Precautions
P261-P280-P302+P352
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Cyclopropane-d5-carboxylic acid
CAS Number1219804-09-7
PubChem CID91971650
IUPAC Name1,2,2,3,3-pentadeuteriocyclopropane-1-carboxylic acid
Molecular FormulaC4H6O2
Molecular Weight91.12
XLogP0.6
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity73
SMILES
[2H]C1(C(C1([2H])C(=O)O)([2H])[2H])[2H]
InChI
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)/i1D2,2D2,3D
InChIKey
YMGUBTXCNDTFJI-UXXIZXEISA-N
Chemical Structure
2D Structure
2D structure of Cyclopropane-d5-carboxylic acid
CAS: 1219804-09-7
CID: 91971650
Formula: C4H6O2
MW: 91.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight91.12
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass91.068163160
Monoisotopic Mass91.068163160
Topological Polar Surface Area37.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity73.6
Isotope Atom Count5
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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CatalogName
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sc-3918071- (Triisopropylsilyloxy) cyclopropylcarboxylic Acid Methyl Ester
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AR-U01163-01Ursodiol-d5 (Ursodeoxycholic Acid-d5)
AR-T02872-01Retinoic Acid-d5 (Tretinoin-d5)
RM-T011502-01Tauroursodeoxycholic Acid-D5 (Tauroursodiol-D5)
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