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2,7-Diacetylfluorene

CAT: 0572-TRC-D353240-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D353240-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
961-27-3
Synonyms
1,1'-(9H-Fluorene-2,7-diyl)bis[ethanone]; 2,7-Diacetyl-9H-fluorene; NSC 137171;
Hazard Statement
No Data Available
Smiles
CC(=O)c1ccc2c(Cc3cc(ccc23)C(=O)C)c1
Molecular Formula
C17H14O2
Molecular Weight
250.29
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,1'-(9H-Fluorene-2,7-diyl)di(ethan-1-one)
CAS Number961-27-3
PubChem CID283001
IUPAC Name1-(7-acetyl-9H-fluoren-2-yl)ethanone
Molecular FormulaC17H14O2
Molecular Weight250.29
XLogP3.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity351
SMILES
CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)C
InChI
InChI=1S/C17H14O2/c1-10(18)12-3-5-16-14(7-12)9-15-8-13(11(2)19)4-6-17(15)16/h3-8H,9H2,1-2H3
InChIKey
RIRYGERFWHUZBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-(9H-Fluorene-2,7-diyl)di(ethan-1-one)
CAS: 961-27-3
CID: 283001
Formula: C17H14O2
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass250.099379685
Monoisotopic Mass250.099379685
Topological Polar Surface Area34.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity351
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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