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88660-87-1 | Butanedioic acid, (4-methyl-1H-imidazol-1-yl)-
CAS No: 88660-87-1 Catalog No: AG0048IC MDL No:
Product Description
Catalog Number:
AG0048IC
Chemical Name:
Butanedioic acid, (4-methyl-1H-imidazol-1-yl)-
CAS Number:
88660-87-1
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
2-(4-methylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C8H10N2O4/c1-5-3-10(4-9-5)6(8(13)14)2-7(11)12/h3-4,6H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key:
VQHHPLCCPADBRD-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cnc(c1)C)C(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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