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207456-83-5 | 3-Penten-2-one-1,1,1,3,5,5,5-d7, 4-(methyl-d3)-
CAS No: 207456-83-5 Catalog No: AG002J2C MDL No:
Product Description
Catalog Number:
AG002J2C
Chemical Name:
3-Penten-2-one-1,1,1,3,5,5,5-d7, 4-(methyl-d3)-
CAS Number:
207456-83-5
Molecular Formula:
C6D10O
Molecular Weight:
108.2046
IUPAC Name:
1,1,1,3,5,5,5-heptadeuterio-4-(trideuteriomethyl)pent-3-en-2-one
InChI:
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3/i1D3,2D3,3D3,4D
InChI Key:
SHOJXDKTYKFBRD-LSURFNHSSA-N
SMILES:
C(=C(C([2H])([2H])[2H])C([2H])([2H])[2H])([2H])C(=O)C([2H])([2H])[2H]
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.136g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
10
Molecular Weight:
108.206g/mol
Monoisotopic Mass:
108.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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