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205440-82-0 | Benzo[e]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12
CAS No: 205440-82-0 Catalog No: AG002A37 MDL No:
Product Description
Catalog Number:
AG002A37
Chemical Name:
Benzo[e]pyrene-1,2,3,4,5,6,7,8,9,10,11,12-d12
CAS Number:
205440-82-0
Molecular Formula:
C20D12
Molecular Weight:
264.3832
IUPAC Name:
1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[e]pyrene
InChI:
InChI=1S/C20H12/c1-2-8-16-15(7-1)17-9-3-5-13-11-12-14-6-4-10-18(16)20(14)19(13)17/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChI Key:
TXVHTIQJNYSSKO-AQZSQYOVSA-N
SMILES:
c1([2H])c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c(c3c1c1c2c([2H])c([2H])c(c1c(c3[2H])[2H])[2H])[2H]
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
12
Molecular Weight:
264.389g/mol
Monoisotopic Mass:
264.169g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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