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10210-32-9 molecular structure
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1-(anthracen-2-yl)propan-2-one

ChemBase ID: 798719
Molecular Formular: C17H14O
Molecular Mass: 234.29246
Monoisotopic Mass: 234.10446507
SMILES and InChIs

SMILES:
C(C(=O)C)c1ccc2cc3ccccc3cc2c1
Canonical SMILES:
CC(=O)Cc1ccc2c(c1)cc1c(c2)cccc1
InChI:
InChI=1S/C17H14O/c1-12(18)8-13-6-7-16-10-14-4-2-3-5-15(14)11-17(16)9-13/h2-7,9-11H,8H2,1H3
InChIKey:
XWFUTGBBJGDTRB-UHFFFAOYSA-N

Cite this record

CBID:798719 http://www.chembase.cn/molecule-798719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(anthracen-2-yl)propan-2-one
IUPAC Traditional name
1-(anthracen-2-yl)propan-2-one
Synonyms
1-(2-anthracenyl)acetone
CAS Number
10210-32-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12049 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12049 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.600523  H Acceptors
H Donor LogD (pH = 5.5) 3.919573 
LogD (pH = 7.4) 3.919573  Log P 3.919573 
Molar Refractivity 73.8171 cm3 Polarizability 31.192415 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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