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164256311 molecular structure
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4-oxo-3-phenyl-4H-chromen-7-yl N,N-dimethylcarbamate

ChemBase ID: 200401
Molecular Formular: C18H15NO4
Molecular Mass: 309.316
Monoisotopic Mass: 309.10010797
SMILES and InChIs

SMILES:
c1(c(=O)c2c(oc1)cc(OC(=O)N(C)C)cc2)c1ccccc1
Canonical SMILES:
O=C(N(C)C)Oc1ccc2c(c1)occ(c2=O)c1ccccc1
InChI:
InChI=1S/C18H15NO4/c1-19(2)18(21)23-13-8-9-14-16(10-13)22-11-15(17(14)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey:
NQGOQULFRNEDMB-UHFFFAOYSA-N

Cite this record

CBID:200401 http://www.chembase.cn/molecule-200401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-oxo-3-phenyl-4H-chromen-7-yl N,N-dimethylcarbamate
IUPAC Traditional name
4-oxo-3-phenylchromen-7-yl N,N-dimethylcarbamate
PubChem SID
164256311
PubChem CID
908487

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 908487 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.058636  LogD (pH = 7.4) 3.058636 
Log P 3.058636  Molar Refractivity 85.3427 cm3
Polarizability 32.672775 Å3 Polar Surface Area 55.84 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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