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methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate

methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate structure

CAS No:
151716-36-8
Formula:
C13H22O3
Chemical Name:
methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate
Synonyms:
UNII-6F0IU8Y5DL;Methyl dihydrojasmonate, (+-)-trans-;6F0IU8Y5DL;trans-(+)-methyl dihydrojasmonate;151716-36-8;Methyl (+-)-dihydrojasmonate;FEMA No. 3408, (+-)-trans-;(+)-methyldihydroepijasmonate;(+)-Methyl dihydroepijasmonate;methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate;methyl dihydrojasmonate (trans);SCHEMBL17517758;DTXSID40164857;ZINC2077817;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S,2S)-;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S-trans)-;(+)-trans- Dihydrojasmonic acid methyl;Q27264763;UNII-3GW44CIE3Y component KVWWIYGFBYDJQC-QWRGUYRKSA-N;UNII-43CCU17TXN component KVWWIYGFBYDJQC-QWRGUYRKSA-N

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methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate Basic Attributes

Molecular Weight：

226.31 g/mol

Exact Mass：

226.15689456 g/mol

UNII：

6F0IU8Y5DL

DSSTox ID：

DTXSID40164857

Characteristics

PSA：

43.4 Å²

Computed Properties

Molecular Weight:226.31
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:226.15689456
Monoisotopic Mass:226.15689456
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:248
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl 2-[(1S,2S)-3-oxo-2-pentylcyclopentyl]acetate

Basic Attributes
Characteristics
Computed Properties
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