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1-Hydroxypyrene-d9

CAT: 0572-TRC-H952702-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H952702-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132603-37-3
Synonyms
1-Pyren-2,3,4,5,6,7,8,9,10-d9-ol; 1-Hydroxypyrene-d9; 1-Hydroxypyrene D9
Hazard Statement
Very toxic to aquatic life with long lasting effects; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c2c([2H])c([2H])c3c([2H])c([2H])c(O)c4c([2H])c([2H])c(c1[2H])c2c34
Molecular Formula
C16 2H9 H O
Molecular Weight
227.31
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
Additionnal Information
IUPAC name: 2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(~2~H_9_)Pyren-1-ol
CAS Number132603-37-3
PubChem CID12986428
IUPAC Name2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-ol
Molecular FormulaC16H10O
Molecular Weight227.30
XLogP4.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity300
SMILES
[2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])O)[2H])[2H])[2H]
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
InChIKey
BIJNHUAPTJVVNQ-LOIXRAQWSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_9_)Pyren-1-ol
CAS: 132603-37-3
CID: 12986428
Formula: C16H10O
MW: 227.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.30
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass227.129655652
Monoisotopic Mass227.129655652
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity300
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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H9111-53F1-Hydroxypyrene-d9 (1-Pyrenol-d9)
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HY-W7662931-Hydroxypyrene β-D-glucuronide-d9
MBS6029540-011-Hydroxypyrene-d9 beta-D-Glucuronide
M27047-011-Hydroxypyrene
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