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1-Hydroxypyrene

CAT: 0024-sc-206169Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-206169Size:100 mg
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CAS Number
5315-79-7

Chemical Information

1-Hydroxypyrene

1-Hydroxypyrene is a member of pyrenes.

CAS Number5315-79-7
PubChem CID21387
IUPAC Namepyren-1-ol
Molecular FormulaC16H10O
Molecular Weight218.25
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
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
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
InChIKey
BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxypyrene
CAS: 5315-79-7
CID: 21387
Formula: C16H10O
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.073164938
Monoisotopic Mass218.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity300
Isotope Atom Count0
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

CatalogName
M27047-011-Hydroxypyrene
TRC-H952702-2.5MG1-Hydroxypyrene-d9
AR-P03293-011-Hydroxypyrene Glucuronide
HY-W014075R-011-Hydroxypyrene (Standard)
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