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70080-13-6 molecular structure
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2-(naphthalen-1-yl)acetaldehyde

ChemBase ID: 813117
Molecular Formular: C12H10O
Molecular Mass: 170.2072
Monoisotopic Mass: 170.07316494
SMILES and InChIs

SMILES:
C(C=O)c1c2ccccc2ccc1
Canonical SMILES:
O=CCc1cccc2c1cccc2
InChI:
InChI=1S/C12H10O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKey:
CCHAJZURXPPHJU-UHFFFAOYSA-N

Cite this record

CBID:813117 http://www.chembase.cn/molecule-813117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(naphthalen-1-yl)acetaldehyde
IUPAC Traditional name
2-(naphthalen-1-yl)acetaldehyde
Synonyms
2-NAPHTHYLACETALDEHYDE
CAS Number
70080-13-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O34049 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O34049 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.493861  H Acceptors
H Donor LogD (pH = 5.5) 2.4418547 
LogD (pH = 7.4) 2.4418545  Log P 2.4418547 
Molar Refractivity 52.8904 cm3 Polarizability 21.696806 Å3
Polar Surface Area 17.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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