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Cyclopropyl-d5-boronic Acid

CAT: 0572-TRC-C988622-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C988622-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1850305-91-7
Synonyms
B-(Cyclopropyl-1,2,2,3,3-d5)boronic acid Cyclopropylboronic acid-d5
Hazard Statement
No Data Available
Smiles
[2H]C1([2H])C([2H])([2H])C1([2H])B(O)O
Molecular Formula
C3 D5 H2 B O2
Molecular Weight
90.928
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2/i1D2,2D2,3D
Additionnal Information
IUPAC name: (1,2,2,3,3-pentadeuteriocyclopropyl)boronic acid
Shipping Conditions
Room Temperature

Chemical Information

Cyclopropyl-d5-boronic acid
CAS Number1850305-91-7
PubChem CID133554564
IUPAC Name(1,2,2,3,3-pentadeuteriocyclopropyl)boronic acid
Molecular FormulaC3H7BO2
Molecular Weight90.93
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
[2H]C1(C(C1([2H])B(O)O)([2H])[2H])[2H]
InChI
InChI=1S/C3H7BO2/c5-4(6)3-1-2-3/h3,5-6H,1-2H2/i1D2,2D2,3D
InChIKey
WLVKDFJTYKELLQ-UXXIZXEISA-N
Chemical Structure
2D Structure
2D structure of Cyclopropyl-d5-boronic acid
CAS: 1850305-91-7
CID: 133554564
Formula: C3H7BO2
MW: 90.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight90.93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass91.0852934
Monoisotopic Mass91.0852934
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.8
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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