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84559-56-8 | 2-Cyclopentene-1-acetic acid, 4-oxo-, methyl ester, (S)-
CAS No: 84559-56-8 Catalog No: AG004R9W MDL No:
Product Description
Catalog Number:
AG004R9W
Chemical Name:
2-Cyclopentene-1-acetic acid, 4-oxo-, methyl ester, (S)-
CAS Number:
84559-56-8
Molecular Formula:
C8H10O3
Molecular Weight:
154.1632
IUPAC Name:
methyl 2-[(1S)-4-oxocyclopent-2-en-1-yl]acetate
InChI:
InChI=1S/C8H10O3/c1-11-8(10)5-6-2-3-7(9)4-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChI Key:
UHBQSMPWZRDQAD-LURJTMIESA-N
SMILES:
COC(=O)C[C@@H]1CC(=O)C=C1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
154.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.165g/mol
Monoisotopic Mass:
154.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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