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103539-32-8 molecular structure
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methyl (2R)-aziridine-2-carboxylate

ChemBase ID: 801050
Molecular Formular: C4H7NO2
Molecular Mass: 101.10388
Monoisotopic Mass: 101.04767847
SMILES and InChIs

SMILES:
C1[C@@H](N1)C(=O)OC
Canonical SMILES:
COC(=O)[C@H]1CN1
InChI:
InChI=1S/C4H7NO2/c1-7-4(6)3-2-5-3/h3,5H,2H2,1H3/t3-/m1/s1
InChIKey:
ZWCVDRJTYFIPIV-GSVOUGTGSA-N

Cite this record

CBID:801050 http://www.chembase.cn/molecule-801050.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2R)-aziridine-2-carboxylate
IUPAC Traditional name
methyl (2R)-aziridine-2-carboxylate
Synonyms
(R)-Aziridine-2-carboxylic acid methyl ester
CAS Number
103539-32-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17299 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17299 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5327215  LogD (pH = 7.4) -0.52862227 
Log P -0.52856976  Molar Refractivity 23.3234 cm3
Polarizability 9.7096 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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