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716-39-2 molecular structure
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1H,3H-naphtho[2,3-c]furan-1,3-dione

ChemBase ID: 798215
Molecular Formular: C12H6O3
Molecular Mass: 198.17424
Monoisotopic Mass: 198.03169405
SMILES and InChIs

SMILES:
c1cc2c(cc1)cc1c(c2)C(=O)OC1=O
Canonical SMILES:
O=C1OC(=O)c2c1cc1ccccc1c2
InChI:
InChI=1S/C12H6O3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H
InChIKey:
IZJDCINIYIMFGX-UHFFFAOYSA-N

Cite this record

CBID:798215 http://www.chembase.cn/molecule-798215.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,3H-naphtho[2,3-c]furan-1,3-dione
IUPAC Traditional name
naphtho[2,3-c]furan-1,3-dione
Synonyms
2,3-Naphthalenedicarboxylic anhydride
CAS Number
716-39-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O10624 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O10624 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4120605  LogD (pH = 7.4) 2.4120605 
Log P 2.4120605  Molar Refractivity 53.8152 cm3
Polarizability 21.57029 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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