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132603-37-3 | 1-Pyren-2,3,4,5,6,7,8,9,10-d9-ol
CAS No: 132603-37-3 Catalog No: AG0010W9 MDL No:
Product Description
Catalog Number:
AG0010W9
Chemical Name:
1-Pyren-2,3,4,5,6,7,8,9,10-d9-ol
CAS Number:
132603-37-3
Molecular Formula:
C16HD9O
Molecular Weight:
227.3055
IUPAC Name:
2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-ol
InChI:
InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChI Key:
BIJNHUAPTJVVNQ-LOIXRAQWSA-N
SMILES:
c1([2H])c([2H])c2c([2H])c([2H])c3c4c2c(c1[2H])c([2H])c(c4c(c(c3O)[2H])[2H])[2H]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.13g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
9
Molecular Weight:
227.31g/mol
Monoisotopic Mass:
227.13g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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