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88660-89-3 | Butanedioic acid, (4-methyl-2-undecyl-1H-imidazol-1-yl)-
CAS No: 88660-89-3 Catalog No: AG0089Z4 MDL No:
Product Description
Catalog Number:
AG0089Z4
Chemical Name:
Butanedioic acid, (4-methyl-2-undecyl-1H-imidazol-1-yl)-
CAS Number:
88660-89-3
Molecular Formula:
C19H32N2O4
Molecular Weight:
352.4684
IUPAC Name:
2-(4-methyl-2-undecylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C19H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-17-20-15(2)14-21(17)16(19(24)25)13-18(22)23/h14,16H,3-13H2,1-2H3,(H,22,23)(H,24,25)
InChI Key:
BVCNYMFECRDDLY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nc(cn1C(C(=O)O)CC(=O)O)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.236g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.475g/mol
Monoisotopic Mass:
352.236g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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