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136845-17-5 | Cyclopentanebutanoic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, (1R,2R)-rel-
CAS No: 136845-17-5 Catalog No: AG0012H0 MDL No:
Product Description
Catalog Number:
AG0012H0
Chemical Name:
Cyclopentanebutanoic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, (1R,2R)-rel-
CAS Number:
136845-17-5
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
4-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]butanoic acid
InChI:
InChI=1S/C14H22O3/c1-2-3-4-7-12-11(9-10-13(12)15)6-5-8-14(16)17/h3-4,11-12H,2,5-10H2,1H3,(H,16,17)/b4-3-/t11-,12-/m1/s1
InChI Key:
LVQJNKFFJNUFNY-OPVGQWETSA-N
SMILES:
CC/C=C\C[C@@H]1[C@H](CCCC(=O)O)CCC1=O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Octadecanoid Precursors of Jasmonic Acid Activate the Synthesis of Wound-Inducible Proteinase Inhibitors. | The Plant cell 19920201 |
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