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70092-43-2 | methyl 2-heptyl-2,3-dihydro-3-(2-(3-methoxy-3-oxopropoxy)ethyl)-1h-imidazole-1-propionate
CAS No: 70092-43-2 Catalog No: AG005Y7X MDL No:
Product Description
Catalog Number:
AG005Y7X
Chemical Name:
methyl 2-heptyl-2,3-dihydro-3-(2-(3-methoxy-3-oxopropoxy)ethyl)-1h-imidazole-1-propionate
CAS Number:
70092-43-2
Molecular Formula:
C20H36N2O5
Molecular Weight:
384.5102
IUPAC Name:
2-pentoxycyclohexan-1-ol
InChI:
InChI=1S/C11H22O2/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h10-12H,2-9H2,1H3
InChI Key:
BSHPGCHSGNTBBX-UHFFFAOYSA-N
SMILES:
CCCCCCCC1N(CCOCCC(=O)OC)C=CN1CCC(=O)OC
EC Number:
274-310-1
NSC Number:
69094
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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