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8-Fluoranthenebutanoic acid

HCID 80768
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6374-49-8
Standard SMILES
O=C(O)CCCc1ccc2c(c1)-c1cccc3cccc-2c13
InChIKey
XBGXOGIDGYOHQA-UHFFFAOYSA-N
Molecular formula
C20H16O2
Average molar mass
288.3 g/mol
Monoisotopic mass
288.11502975

Names & identifiers

Preferred name
8-Fluoranthenebutanoic acid
IUPAC
4-fluoranthen-8-ylbutanoic acid
English name
8-Fluoranthenebutanoic acid
Molecular formula
C20H16O2
Molecular weight
288.34

Names & synonyms

8-Fluoranthenebutanoic acid6374-49-84-(8-Fluoroanthyl)butanoic acidDTXSID6064290RefChem:107093DTXCID80440944-(FLUORANTHEN-8-YL)BUTANOIC ACIDXBGXOGIDGYOHQA-UHFFFAOYSA-N

Database identifiers

CAS
6374-49-8
PubChem CID
80768
DTXSID
DTXSID6064290
Nikkaji
J421.813B

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
418

Physicochemical properties

EPA Substance Registry System
8 · 8-Fluoranthenebutanoic acid (6374-49-8)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information8-Fluoranthenebutanoic acid: INACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes