Home Other Building Blocks 1,3-Dioxolan-2-one-4,4,5-d3, 5-(methyl-d3)- (9CI)

1,3-Dioxolan-2-one-4,4,5-d3, 5-(methyl-d3)- (9CI)

CAS No.:
202480-74-8
Catalog Number:
AG00289D
Molecular Formula:
C4D6O3
Molecular Weight:
108.1256
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Product Description
Catalog Number:
AG00289D
Chemical Name:
1,3-Dioxolan-2-one-4,4,5-d3, 5-(methyl-d3)- (9CI)
CAS Number:
202480-74-8
Molecular Formula:
C4D6O3
Molecular Weight:
108.1256
IUPAC Name:
4,4,5-trideuterio-5-(trideuteriomethyl)-1,3-dioxolan-2-one
InChI:
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/i1D3,2D2,3D
InChI Key:
RUOJZAUFBMNUDX-LIDOUZCJSA-N
SMILES:
O=C1OC(C(O1)([2H])[2H])([2H])C([2H])([2H])[2H]
Properties
Complexity:
88.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.069g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6  
Molecular Weight:
108.126g/mol
Monoisotopic Mass:
108.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties