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307551-49-1 molecular structure
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4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one

ChemBase ID: 311472
Molecular Formular: C17H14O4
Molecular Mass: 282.29066
Monoisotopic Mass: 282.08920893
SMILES and InChIs

SMILES:
c12oc(=O)c3c(c1ccc(c2C)OCC(=O)C)cccc3
Canonical SMILES:
CC(=O)COc1ccc2c(c1C)oc(=O)c1c2cccc1
InChI:
InChI=1S/C17H14O4/c1-10(18)9-20-15-8-7-13-12-5-3-4-6-14(12)17(19)21-16(13)11(15)2/h3-8H,9H2,1-2H3
InChIKey:
VNVLPLZRLNYOQH-UHFFFAOYSA-N

Cite this record

CBID:311472 http://www.chembase.cn/molecule-311472.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one
IUPAC Traditional name
4-methyl-3-(2-oxopropoxy)benzo[c]chromen-6-one
Synonyms
4-methyl-3-(2-oxopropoxy)-6H-benzo[c]chromen-6-one
CAS Number
307551-49-1
MDL Number
MFCD02081431

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0886865  LogD (pH = 7.4) 3.0886865 
Log P 3.0886865  Molar Refractivity 78.0792 cm3
Polarizability 31.143858 Å3 Polar Surface Area 52.6 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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