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302546-92-5 | Pentanedioic acid, 2-cyclohexyl-4-methylene-, 1,5-dimethyl ester
CAS No: 302546-92-5 Catalog No: AG002ZDM MDL No:
Product Description
Catalog Number:
AG002ZDM
Chemical Name:
Pentanedioic acid, 2-cyclohexyl-4-methylene-, 1,5-dimethyl ester
CAS Number:
302546-92-5
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
dimethyl 2-cyclohexyl-4-methylidenepentanedioate
InChI:
InChI=1S/C14H22O4/c1-10(13(15)17-2)9-12(14(16)18-3)11-7-5-4-6-8-11/h11-12H,1,4-9H2,2-3H3
InChI Key:
GAEMZVATOHTOAM-UHFFFAOYSA-N
SMILES:
COC(=O)C(C1CCCCC1)CC(=C)C(=O)OC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Chelation-controlled radical chain reactions studied by electrospray ionization mass spectrometry. | Chemistry (Weinheim an der Bergstrasse, Germany) 20050919 |
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