Products for Research Use Only
RegisterLogin

1-Pyrenol Acetate

CAT: 0572-TRC-P989580-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-P989580-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
78751-40-3
Synonyms
1-Acetoxypyrene
Hazard Statement
No Data Available
Smiles
O=C(C)OC1=CC=C2C=CC3=CC=CC4=C3C2=C1C=C4
Molecular Formula
C18H12O2
Molecular Weight
260.29
InChI
InChI=1S/C18H12O2/c1-11(19)20-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3
Additionnal Information
IUPAC name: pyren-1-yl acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Pyren-1-yl Acetate
CAS Number78751-40-3
PubChem CID187146
IUPAC Namepyren-1-yl acetate
Molecular FormulaC18H12O2
Molecular Weight260.3
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity391
SMILES
CC(=O)OC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C18H12O2/c1-11(19)20-16-10-8-14-6-5-12-3-2-4-13-7-9-15(16)18(14)17(12)13/h2-10H,1H3
InChIKey
XMAPHCGFUPXIEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyren-1-yl Acetate
CAS: 78751-40-3
CID: 187146
Formula: C18H12O2
MW: 260.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass260.083729621
Monoisotopic Mass260.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity391
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

Related Products

CatalogName
TRC-P989582-10MG1-Pyrenol-d9 Acetate
TRC-P989582-100MG1-Pyrenol-d9 Acetate
TRC-N519980-25MG3-Nitro-1-pyrenol
TRC-N519985-10MG6-Nitro-1-pyrenol
TRC-N519980-2.5MG3-Nitro-1-pyrenol
TRC-N519985-100MG6-Nitro-1-pyrenol
TRC-N519995-100MG6-Nitro-1-pyrenol and 8-Nitro-1-pyrenol Mixture (8-Nitro major)
TRC-N519987-10MG6-Nitro-1-pyrenol-d8
TRC-N519995-10MG6-Nitro-1-pyrenol and 8-Nitro-1-pyrenol Mixture (8-Nitro major)
TRC-N519987-1MG6-Nitro-1-pyrenol-d8

Alternative Products

CatalogName
410313-011-Pyrenol Acetate
MBS6094650-011-Pyrenol-d9 Acetate
HY-P0185A-01Endomorphin 1 (acetate)
463330-01Quensyl-1-acetate
268086-01Chloramphenicol 1-acetate
409674-011-Dodecanol Acetate
RG-E141292-011-hydroxyethyl acetate
RG-A261835-011-Methoxyethyl Acetate
MBS3614435-011-Naphthyl acetate
MBS5789467MMK 1 acetate

Popular Products