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Home > Imidazoles > 88660-82-6
88660-82-6 | Butanedioic acid, 1H-imidazol-1-yl-
CAS No: 88660-82-6 Catalog No: AG0089Z6 MDL No:
Product Description
Catalog Number:
AG0089Z6
Chemical Name:
Butanedioic acid, 1H-imidazol-1-yl-
CAS Number:
88660-82-6
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
IUPAC Name:
2-imidazol-1-ylbutanedioic acid
InChI:
InChI=1S/C7H8N2O4/c10-6(11)3-5(7(12)13)9-2-1-8-4-9/h1-2,4-5H,3H2,(H,10,11)(H,12,13)
InChI Key:
XDEYGEMCCIXMQL-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cncc1)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Literature
| Title | Journal |
|---|---|
| (S)-2-(1H-Imidazol-1-yl)succinic acid. | Acta crystallographica. Section E, Structure reports online 20090501 |
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