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1210-05-5 molecular structure
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2-(2-formylphenyl)benzaldehyde

ChemBase ID: 87547
Molecular Formular: C14H10O2
Molecular Mass: 210.228
Monoisotopic Mass: 210.06807956
SMILES and InChIs

SMILES:
O=Cc1ccccc1c1c(cccc1)C=O
Canonical SMILES:
O=Cc1ccccc1c1ccccc1C=O
InChI:
InChI=1S/C14H10O2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-10H
InChIKey:
HJFGULDHUDIPDA-UHFFFAOYSA-N

Cite this record

CBID:87547 http://www.chembase.cn/molecule-87547.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-formylphenyl)benzaldehyde
IUPAC Traditional name
diphenaldehyde
Synonyms
Biphenyl-2,2'-dicarboxaldehyde
CAS Number
1210-05-5
MDL Number
MFCD00142732
PubChem SID
162074587
PubChem CID
14585

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 14585 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.045476  LogD (pH = 7.4) 3.045476 
Log P 3.045476  Molar Refractivity 64.3622 cm3
Polarizability 25.122902 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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