Home > Compound List > Compound details
92151-76-3 molecular structure
click picture or here to close

9H-fluorene-3-carboxylic acid

ChemBase ID: 251365
Molecular Formular: C14H10O2
Molecular Mass: 210.228
Monoisotopic Mass: 210.06807956
SMILES and InChIs

SMILES:
c12c3c(Cc1ccc(c2)C(=O)O)cccc3
Canonical SMILES:
OC(=O)c1ccc2c(c1)c1ccccc1C2
InChI:
InChI=1S/C14H10O2/c15-14(16)11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2,(H,15,16)
InChIKey:
WYRSPZVTTMUNBL-UHFFFAOYSA-N

Cite this record

CBID:251365 http://www.chembase.cn/molecule-251365.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluorene-3-carboxylic acid
IUPAC Traditional name
9H-fluorene-3-carboxylic acid
Synonyms
9H-fluorene-3-carboxylic acid
CAS Number
92151-76-3
MDL Number
MFCD07687101
PubChem SID
164307275
PubChem CID
7131748

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-21828 external link Add to cart Please log in.
Data Source Data ID
PubChem 7131748 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.1198773  H Acceptors
H Donor LogD (pH = 5.5) 2.0018156 
LogD (pH = 7.4) 0.31026357  Log P 3.3966024 
Molar Refractivity 62.1296 cm3 Polarizability 24.662546 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
264 - 266°C expand Show data source
Hydrophobicity(logP)
3.818 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle