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88660-84-8 | Butanedioic acid, (2-ethyl-1H-imidazol-1-yl)-
CAS No: 88660-84-8 Catalog No: AG0047V2 MDL No:
Product Description
Catalog Number:
AG0047V2
Chemical Name:
Butanedioic acid, (2-ethyl-1H-imidazol-1-yl)-
CAS Number:
88660-84-8
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
2-(2-ethylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C9H12N2O4/c1-2-7-10-3-4-11(7)6(9(14)15)5-8(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
OWCOBRBXMISTRA-UHFFFAOYSA-N
SMILES:
CCc1nccn1C(C(=O)O)CC(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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