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156939-62-7 molecular structure
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9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate

ChemBase ID: 293865
Molecular Formular: C17H15NO3
Molecular Mass: 281.3059
Monoisotopic Mass: 281.10519335
SMILES and InChIs

SMILES:
O=C(OCC1c2c(c3c1cccc3)cccc2)NCC=O
Canonical SMILES:
O=CCNC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C17H15NO3/c19-10-9-18-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,10,16H,9,11H2,(H,18,20)
InChIKey:
DBTMQODRSDEGRZ-UHFFFAOYSA-N

Cite this record

CBID:293865 http://www.chembase.cn/molecule-293865.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate
IUPAC Traditional name
9H-fluoren-9-ylmethyl N-(2-oxoethyl)carbamate
Synonyms
(9H-Fluoren-9-yl)methyl 2-oxoethylcarbamate
CAS Number
156939-62-7
MDL Number
MFCD11519176
PubChem SID
180679396
PubChem CID
10858926

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD46409 Please log in.
Data Source Data ID
PubChem 10858926 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.967836  H Acceptors
H Donor LogD (pH = 5.5) 2.3179367 
LogD (pH = 7.4) 2.3179364  Log P 2.3179367 
Molar Refractivity 79.1578 cm3 Polarizability 31.724356 Å3
Polar Surface Area 55.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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