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363-49-5 molecular structure
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N-(7-hydroxy-9H-fluoren-2-yl)acetamide

ChemBase ID: 170079
Molecular Formular: C15H13NO2
Molecular Mass: 239.26922
Monoisotopic Mass: 239.09462866
SMILES and InChIs

SMILES:
c1c(cc2c(c1)c1c(C2)cc(cc1)NC(=O)C)O
Canonical SMILES:
CC(=O)Nc1ccc2c(c1)Cc1c2ccc(c1)O
InChI:
InChI=1S/C15H13NO2/c1-9(17)16-12-2-4-14-10(7-12)6-11-8-13(18)3-5-15(11)14/h2-5,7-8,18H,6H2,1H3,(H,16,17)
InChIKey:
RAYOKTUAMJNEFH-UHFFFAOYSA-N

Cite this record

CBID:170079 http://www.chembase.cn/molecule-170079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(7-hydroxy-9H-fluoren-2-yl)acetamide
IUPAC Traditional name
7-hydroxy-2-acetamidofluorene
Synonyms
7-OH-AAF
7-Hydroxy-2-acetylaminofluorene
CAS Number
363-49-5
PubChem SID
164225989
PubChem CID
9695

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H750000 external link Add to cart
PubChem 9695 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 9695 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.9325285  H Acceptors
H Donor LogD (pH = 5.5) 2.6731484 
LogD (pH = 7.4) 2.6718996  Log P 2.6731644 
Molar Refractivity 71.7173 cm3 Polarizability 27.808447 Å3
Polar Surface Area 49.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Methanol expand Show data source
Apperance
Light Grey Solid expand Show data source
Melting Point
230-232°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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  • • Monteith, D.K.: Cancer Lett. (Shannon, Irel.), 64(2)
  • • 109 (2)
  • • Mackenzie, P.I., et al.: Cancer Res., 53(2)
  • • 1529 (2)
  • • Jin, C.J., et al.: Carcinogenesis, 14(2)
  • • 2637 (2)
  • • Juchau, M.R., et al.: Toxicol. Appl. Pharmacol., 80(2)
  • • 137 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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