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307548-94-3 molecular structure
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6-methyl-7-(2-oxopropoxy)-1H,2H,3H,4H-cyclopenta[c]chromen-4-one

ChemBase ID: 311482
Molecular Formular: C16H16O4
Molecular Mass: 272.29584
Monoisotopic Mass: 272.10485899
SMILES and InChIs

SMILES:
c12oc(=O)c3c(c1ccc(c2C)OCC(=O)C)CCC3
Canonical SMILES:
CC(=O)COc1ccc2c(c1C)oc(=O)c1c2CCC1
InChI:
InChI=1S/C16H16O4/c1-9(17)8-19-14-7-6-12-11-4-3-5-13(11)16(18)20-15(12)10(14)2/h6-7H,3-5,8H2,1-2H3
InChIKey:
JLYIBZRYQJEBHZ-UHFFFAOYSA-N

Cite this record

CBID:311482 http://www.chembase.cn/molecule-311482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-7-(2-oxopropoxy)-1H,2H,3H,4H-cyclopenta[c]chromen-4-one
IUPAC Traditional name
6-methyl-7-(2-oxopropoxy)-1H,2H,3H-cyclopenta[c]chromen-4-one
Synonyms
6-methyl-7-(2-oxopropoxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
CAS Number
307548-94-3
MDL Number
MFCD01845284

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 2.6225064  Log P 2.6225064 
Molar Refractivity 74.1266 cm3 Polarizability 28.542278 Å3
Polar Surface Area 52.6 Å2 H Acceptors
H Donor LogD (pH = 5.5) 2.6225064 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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