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6373-11-1 molecular structure
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1,2-dihydroaceanthrylene-1,2-dione

ChemBase ID: 150454
Molecular Formular: C16H8O2
Molecular Mass: 232.23352
Monoisotopic Mass: 232.0524295
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc1cccc3c1c2C(=O)C3=O
Canonical SMILES:
O=C1c2c3ccccc3cc3c2c(C1=O)ccc3
InChI:
InChI=1S/C16H8O2/c17-15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(13(10)12)16(15)18/h1-8H
InChIKey:
YAIBDWAANBTYIA-UHFFFAOYSA-N

Cite this record

CBID:150454 http://www.chembase.cn/molecule-150454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dihydroaceanthrylene-1,2-dione
IUPAC Traditional name
aceanthrylene-1,2-dione
Synonyms
1,2-Aceanthrylenedione
Aceanthrenequinone
醋蒽醌
1,2-苯并苊醌
CAS Number
6373-11-1
MDL Number
MFCD00013265
PubChem SID
162244615
24859705
PubChem CID
316765

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
327972 external link Add to cart Please log in.
Data Source Data ID
PubChem 316765 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2504342  LogD (pH = 7.4) 3.2504342 
Log P 3.2504342  Molar Refractivity 68.9152 cm3
Polarizability 28.522821 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
270-273 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
96% expand Show data source
Empirical Formula (Hill Notation)
C16H8O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 327972 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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