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25662-28-6 | Methyl 1-cyclopentene-1-carboxylate
CAS No: 25662-28-6 Catalog No: AG003RK9 MDL No:MFCD00239506
Product Description
Catalog Number:
AG003RK9
Chemical Name:
Methyl 1-cyclopentene-1-carboxylate
CAS Number:
25662-28-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD00239506
IUPAC Name:
methyl cyclopentene-1-carboxylate
InChI:
InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChI Key:
VTYCAXIAUKEGBQ-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCC1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. | The open medicinal chemistry journal 20090101 |
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