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71440-79-4 molecular structure
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tetracene-5,12-dicarbaldehyde

ChemBase ID: 76464
Molecular Formular: C20H12O2
Molecular Mass: 284.30808
Monoisotopic Mass: 284.08372962
SMILES and InChIs

SMILES:
O=Cc1c2cc3c(cc2c(c2ccccc12)C=O)cccc3
Canonical SMILES:
O=Cc1c2cc3ccccc3cc2c(c2c1cccc2)C=O
InChI:
InChI=1S/C20H12O2/c21-11-19-15-7-3-4-8-16(15)20(12-22)18-10-14-6-2-1-5-13(14)9-17(18)19/h1-12H
InChIKey:
RXDJVBXMOZKSHS-UHFFFAOYSA-N

Cite this record

CBID:76464 http://www.chembase.cn/molecule-76464.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetracene-5,12-dicarbaldehyde
IUPAC Traditional name
tetracene-5,12-dicarbaldehyde
Synonyms
Naphthacene-5,12-dicarboxaldehyde
CAS Number
71440-79-4
MDL Number
MFCD06796309
PubChem SID
162041368
PubChem CID
17750326

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 17750326 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3666806  LogD (pH = 7.4) 4.3666806 
Log P 4.3666806  Molar Refractivity 88.5766 cm3
Polarizability 36.93391 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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