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2154-32-7 molecular structure
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ol

ChemBase ID: 172915
Molecular Formular: C10H16NO3
Molecular Mass: 198.23894
Monoisotopic Mass: 198.11301838
SMILES and InChIs

SMILES:
C1(=CC(N(C1(C)C)[O])(C)C)C(=O)OC
Canonical SMILES:
COC(=O)C1=CC(N(C1(C)C)[O])(C)C
InChI:
InChI=1S/C10H16NO3/c1-9(2)6-7(8(12)14-5)10(3,4)11(9)13/h6H,1-5H3
InChIKey:
JVLPEXNOUUSKSA-UHFFFAOYSA-N

Cite this record

CBID:172915 http://www.chembase.cn/molecule-172915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ol
IUPAC Traditional name
tyrosine(.)
Synonyms
3-carboxy-2,2,5,5-tetramethyl-3-Pyrrolin-1-yloxy, , methyl ester
2,2,5,5-Tetramethyl-4-methoxycarbonylpyrroline-1-oxyl
3-Methoxycarbonyl-2,2,5,5-tetramethylpyrroline-1-oxyl
CMPO
3-Methoxycarbonyl-2,2,5,5-tetramethyl-3-pyrrolidin-1-oxyl
CAS Number
2154-32-7
PubChem SID
164228825
PubChem CID
597693

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M261670 external link Add to cart
PubChem 597693 external link
Data Source Data ID Price
TRC
M261670 external link Add to cart Please log in.
Data Source Data ID
PubChem 597693 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.0745345  LogD (pH = 7.4) 1.0745345 
Log P 1.0745345  Molar Refractivity 52.5682 cm3
Polarizability 20.685291 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Yellow Solid expand Show data source
Melting Point
74-76°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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