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Methyl cyclopropane carboxylate

CAT: 1266-JH667077Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
2868-37-3
UN Code
UN 1992
Hazard Statement
F
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C5H8O2
Molecular Weight
100.12
Product Name Synonym
RARECHEM AL BF 0553
Physical Properties
Clear liquid
Hazardous Class
3
Safety Statements
S16-S29-S33-S9
Density
0.98
Flash Point
17oC
RIDADR
UN 1992
Melting Point
-30oC

Chemical Information

Methyl cyclopropanecarboxylate

Methyl cyclopropanecarboxylate is a methyl ester derived from cyclopropanecarboxylic acid. It is a methyl ester and a member of cyclopropanes. It is functionally related to a cyclopropanecarboxylic acid.

CAS Number2868-37-3
PubChem CID76122
IUPAC Namemethyl cyclopropanecarboxylate
Molecular FormulaC5H8O2
Molecular Weight100.12
XLogP0.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity84
SMILES
COC(=O)C1CC1
InChI
InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
InChIKey
PKAHQJNJPDVTDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl cyclopropanecarboxylate
CAS: 2868-37-3
CID: 76122
Formula: C5H8O2
MW: 100.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.12
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass100.052429494
Monoisotopic Mass100.052429494
Topological Polar Surface Area26.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity84.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
164932Methyl Cyclopropane Carboxylate
OR28707Methyl cyclopropane-1-carboxylate
UEA11166-01Methyl 1- (methylamino) cyclopropane-1-carboxylate
OR1037337-01Methyl 1- (bromomethyl) cyclopropane-1-carboxylate
sc-228483Methyl 1- (trifluoromethyl) cyclopropane-1-carboxylate
OR1033724-01Methyl 1- (4-hydroxyphenyl) cyclopropane-1-carboxylate
454616-01Methyl 1- (3-bromophenyl) cyclopropane-1-carboxylate
abx185467-01Methyl 2-(aminomethyl)cyclopropane-1-carboxylate hydrochloride
OR1046958-01Methyl 2- (4-aminophenyl) cyclopropane-1-carboxylate
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