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7044-91-9 molecular structure
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anthracene-9,10-dicarbaldehyde

ChemBase ID: 59367
Molecular Formular: C16H10O2
Molecular Mass: 234.2494
Monoisotopic Mass: 234.06807956
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(c1c(c2C=O)cccc1)C=O
Canonical SMILES:
O=Cc1c2ccccc2c(c2c1cccc2)C=O
InChI:
InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H
InChIKey:
SBRUFOSORMQHES-UHFFFAOYSA-N

Cite this record

CBID:59367 http://www.chembase.cn/molecule-59367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
anthracene-9,10-dicarbaldehyde
IUPAC Traditional name
anthracene-9,10-dialdehyde
Synonyms
Anthracene-9,10-dicarbaldehyde
CAS Number
7044-91-9
MDL Number
MFCD00045386
PubChem SID
162064130
PubChem CID
81500

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 81500 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.377204  LogD (pH = 7.4) 3.377204 
Log P 3.377204  Molar Refractivity 72.1264 cm3
Polarizability 29.286503 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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