Home Carboxys Cyclopropanecarboxylic acid, methyl ester

Cyclopropanecarboxylic acid, methyl ester

CAS No.:
2868-37-3
Catalog Number:
AG002W2T
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
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Product Description
Catalog Number:
AG002W2T
Chemical Name:
Cyclopropanecarboxylic acid, methyl ester
CAS Number:
2868-37-3
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00001280
IUPAC Name:
methyl cyclopropanecarboxylate
InChI:
InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3
InChI Key:
PKAHQJNJPDVTDP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC1
EC Number:
220-690-9
UNII:
5UQ53F585U
Properties
Complexity:
84.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.052g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Efficient stereoselective syntheses of cyclic amino acids via Michael-induced ring-closing reactions. Organic letters 20030724
Properties