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30084-90-3 molecular structure
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9H-fluorene-2-carbaldehyde

ChemBase ID: 147494
Molecular Formular: C14H10O
Molecular Mass: 194.2286
Monoisotopic Mass: 194.07316494
SMILES and InChIs

SMILES:
c1ccc2c(c1)Cc1c2ccc(c1)C=O
Canonical SMILES:
O=Cc1ccc2c(c1)Cc1c2cccc1
InChI:
InChI=1S/C14H10O/c15-9-10-5-6-14-12(7-10)8-11-3-1-2-4-13(11)14/h1-7,9H,8H2
InChIKey:
MNQGEQSXFDKAPY-UHFFFAOYSA-N

Cite this record

CBID:147494 http://www.chembase.cn/molecule-147494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluorene-2-carbaldehyde
IUPAC Traditional name
9H-fluorene-2-carbaldehyde
Synonyms
Fluorene-2-carboxaldehyde
芴-2-甲醛
CAS Number
30084-90-3
EC Number
250-035-2
MDL Number
MFCD00001123
Beilstein Number
2255852
PubChem SID
24848841
162241682
PubChem CID
34804

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 34804 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.903297  H Acceptors
H Donor LogD (pH = 5.5) 3.4515216 
LogD (pH = 7.4) 3.4515216  Log P 3.4515216 
Molar Refractivity 61.4574 cm3 Polarizability 24.308918 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
82-86°C expand Show data source
83-85 °C expand Show data source
83-85 °C(lit.) expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
RTECS
LL5917000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C14H10O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 150142 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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