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71441-76-4 molecular structure
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ethyl 1-methylcyclopropane-1-carboxylate

ChemBase ID: 85680
Molecular Formular: C7H12O2
Molecular Mass: 128.16898
Monoisotopic Mass: 128.08372962
SMILES and InChIs

SMILES:
O=C(C1(CC1)C)OCC
Canonical SMILES:
CCOC(=O)C1(C)CC1
InChI:
InChI=1S/C7H12O2/c1-3-9-6(8)7(2)4-5-7/h3-5H2,1-2H3
InChIKey:
IZPYNZLFBUQGCZ-UHFFFAOYSA-N

Cite this record

CBID:85680 http://www.chembase.cn/molecule-85680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-methylcyclopropane-1-carboxylate
IUPAC Traditional name
ethyl 1-methylcyclopropane-1-carboxylate
Synonyms
1-(Ethoxycarbonyl)-1-methylcyclopropane
Ethyl 1-methylcyclopropane-1-carboxylate
Ethyl 1-methylcyclopropanecarboxylate
CAS Number
71441-76-4
MDL Number
MFCD00001284
PubChem SID
162072796
PubChem CID
544234

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6151668  LogD (pH = 7.4) 1.6151668 
Log P 1.6151668  Molar Refractivity 34.0616 cm3
Polarizability 13.668409 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
136°C/760mm expand Show data source
Flash Point
30°C expand Show data source
Density
0.918 expand Show data source
Storage Warning
Flammable/Keep Cold expand Show data source
Purity
95+% expand Show data source
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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