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Home > Imidazoles > 88897-40-9
88897-40-9 | Undecanedioic acid, 6-(1H-imidazol-1-yl)-
CAS No: 88897-40-9 Catalog No: AG008AAZ MDL No:
Product Description
Catalog Number:
AG008AAZ
Chemical Name:
Undecanedioic acid, 6-(1H-imidazol-1-yl)-
CAS Number:
88897-40-9
Molecular Formula:
C14H22N2O4
Molecular Weight:
282.3355
IUPAC Name:
6-imidazol-1-ylundecanedioic acid
InChI:
InChI=1S/C14H22N2O4/c17-13(18)7-3-1-5-12(16-10-9-15-11-16)6-2-4-8-14(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)
InChI Key:
PVNIVVLYPJMKAE-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(n1cncc1)CCCCC(=O)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.34g/mol
Monoisotopic Mass:
282.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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