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Home > Imidazoles > 88897-39-6
88897-39-6 | Undecanedioic acid, 6-(1H-imidazol-1-yl)-, diethyl ester
CAS No: 88897-39-6 Catalog No: AG0049IT MDL No:
Product Description
Catalog Number:
AG0049IT
Chemical Name:
Undecanedioic acid, 6-(1H-imidazol-1-yl)-, diethyl ester
CAS Number:
88897-39-6
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
diethyl 6-imidazol-1-ylundecanedioate
InChI:
InChI=1S/C18H30N2O4/c1-3-23-17(21)11-7-5-9-16(20-14-13-19-15-20)10-6-8-12-18(22)24-4-2/h13-16H,3-12H2,1-2H3
InChI Key:
ZTXFYLHVAPHPCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(n1cncc1)CCCCC(=O)OCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.448g/mol
Monoisotopic Mass:
338.221g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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