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88660-86-0 | Butanedioic acid, (2-heptadecyl-1H-imidazol-1-yl)-
CAS No: 88660-86-0 Catalog No: AG0048ID MDL No:
Product Description
Catalog Number:
AG0048ID
Chemical Name:
Butanedioic acid, (2-heptadecyl-1H-imidazol-1-yl)-
CAS Number:
88660-86-0
Molecular Formula:
C24H42N2O4
Molecular Weight:
422.6013
IUPAC Name:
2-(2-heptadecylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C24H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-18-19-26(22)21(24(29)30)20-23(27)28/h18-19,21H,2-17,20H2,1H3,(H,27,28)(H,29,30)
InChI Key:
JYGAGCAAKURHID-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1nccn1C(C(=O)O)CC(=O)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.314g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.61g/mol
Monoisotopic Mass:
422.314g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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