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145278-80-4 | 1H-Imidazole, 4,5-dihydro-2-methyl-1-nonyl-, ethanedioate (1:1)
CAS No: 145278-80-4 Catalog No: AG001KQW MDL No:
Product Description
Catalog Number:
AG001KQW
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-methyl-1-nonyl-, ethanedioate (1:1)
CAS Number:
145278-80-4
Molecular Formula:
C15H28N2O4
Molecular Weight:
300.3938
IUPAC Name:
2-methyl-1-nonyl-4,5-dihydroimidazole;oxalic acid
InChI:
InChI=1S/C13H26N2.C2H2O4/c1-3-4-5-6-7-8-9-11-15-12-10-14-13(15)2;3-1(4)2(5)6/h3-12H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
BTHPUBWUBWVYPF-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCCCCCCN1CCN=C1C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.205g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.399g/mol
Monoisotopic Mass:
300.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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