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76100-31-7 | 1H-Imidazole-4,5-dicarboxylic acid, 2-undecyl-
CAS No: 76100-31-7 Catalog No: AG005G73 MDL No:
Product Description
Catalog Number:
AG005G73
Chemical Name:
1H-Imidazole-4,5-dicarboxylic acid, 2-undecyl-
CAS Number:
76100-31-7
Molecular Formula:
C16H26N2O4
Molecular Weight:
310.3886
IUPAC Name:
2-undecyl-1H-imidazole-4,5-dicarboxylic acid
InChI:
InChI=1S/C16H26N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15(19)20)14(18-12)16(21)22/h2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChI Key:
LMXINVBWNBFAQZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nc(c([nH]1)C(=O)O)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.189g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.394g/mol
Monoisotopic Mass:
310.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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