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6344-61-2 molecular structure
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9H-fluoren-1-ol

ChemBase ID: 169040
Molecular Formular: C13H10O
Molecular Mass: 182.2179
Monoisotopic Mass: 182.07316494
SMILES and InChIs

SMILES:
c1cccc2c1Cc1c2cccc1O
Canonical SMILES:
Oc1cccc2c1Cc1c2cccc1
InChI:
InChI=1S/C13H10O/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7,14H,8H2
InChIKey:
PWFLISNWYDWJHX-UHFFFAOYSA-N

Cite this record

CBID:169040 http://www.chembase.cn/molecule-169040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-1-ol
IUPAC Traditional name
fluorenol
Synonyms
1-Hydroxyfluorene
NSC 51310
9H-Fluoren-1-ol
Fluoren-1-ol
CAS Number
6344-61-2
PubChem SID
162263172
PubChem CID
96087

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC F462450 external link Add to cart
PubChem 96087 external link
Data Source Data ID Price
TRC
F462450 external link Add to cart Please log in.
Data Source Data ID
PubChem 96087 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.927662  H Acceptors
H Donor LogD (pH = 5.5) 3.435438 
LogD (pH = 7.4) 3.434175  Log P 3.4354541 
Molar Refractivity 56.8543 cm3 Polarizability 23.022226 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - F462450 external link
A metabolite of the PAH micropollutant Fluorene (F462002) with potential mutagenic effects. It is used as biomarkers to evaluate exposure to PAHs and environmental tobacco smoke in general population.

REFERENCES

REFERENCES

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  • • Gmeiner, G. et al.: J. Chrom. B Anal. Technol. Biomed. LIfe Sci., 766, 209 (2002)
  • • Aquilina, N.J. et al.: Env. Int., 36, 763 (2002)
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PATENTS

PATENTS

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INTERNET

INTERNET

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