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5239-82-7 | Cyclopropylacetic acid
CAS No: 5239-82-7 Catalog No: AG0038ON MDL No:MFCD00041544
Product Description
Catalog Number:
AG0038ON
Chemical Name:
Cyclopropylacetic acid
CAS Number:
5239-82-7
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
MDL Number:
MFCD00041544
IUPAC Name:
2-cyclopropylacetic acid
InChI:
InChI=1S/C5H8O2/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H,6,7)
InChI Key:
KVVDRQDTODKIJD-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CC1
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:
1
Isotope Atom Count:
0
Molecular Weight:
100.117g/mol
Monoisotopic Mass:
100.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Selective orthosteric free fatty acid receptor 2 (FFA2) agonists: identification of the structural and chemical requirements for selective activation of FFA2 versus FFA3. | The Journal of biological chemistry 20110325 |
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