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88660-85-9 | Butanedioic acid, (2-undecyl-1H-imidazol-1-yl)-
CAS No: 88660-85-9 Catalog No: AG0048IE MDL No:
Product Description
Catalog Number:
AG0048IE
Chemical Name:
Butanedioic acid, (2-undecyl-1H-imidazol-1-yl)-
CAS Number:
88660-85-9
Molecular Formula:
C18H30N2O4
Molecular Weight:
338.4418
IUPAC Name:
2-(2-undecylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C18H30N2O4/c1-2-3-4-5-6-7-8-9-10-11-16-19-12-13-20(16)15(18(23)24)14-17(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)(H,23,24)
InChI Key:
DEQVVCSXKQLYGW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nccn1C(C(=O)O)CC(=O)O
Properties
Complexity:
376
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:
2
Isotope Atom Count:
0
Molecular Weight:
338.448g/mol
Monoisotopic Mass:
338.221g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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