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26473-08-5 | 1,4-Naphthalenedione-2,3,5,6,7,8-d6 (9CI)
CAS No: 26473-08-5 Catalog No: AG002TCX MDL No:
Product Description
Catalog Number:
AG002TCX
Chemical Name:
1,4-Naphthalenedione-2,3,5,6,7,8-d6 (9CI)
CAS Number:
26473-08-5
Molecular Formula:
C10D6O2
Molecular Weight:
164.1904
IUPAC Name:
2,3,5,6,7,8-hexadeuterionaphthalene-1,4-dione
InChI:
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H/i1D,2D,3D,4D,5D,6D
InChI Key:
FRASJONUBLZVQX-MZWXYZOWSA-N
SMILES:
c1([2H])c([2H])c([2H])c2c(c1[2H])C(=O)C(=C(C2=O)[2H])[2H]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
6
Molecular Weight:
164.193g/mol
Monoisotopic Mass:
164.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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