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88660-90-6 | Butanedioic acid, (4-methyl-2-phenyl-1H-imidazol-1-yl)-
CAS No: 88660-90-6 Catalog No: AG0047V1 MDL No:
Product Description
Catalog Number:
AG0047V1
Chemical Name:
Butanedioic acid, (4-methyl-2-phenyl-1H-imidazol-1-yl)-
CAS Number:
88660-90-6
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
2-(4-methyl-2-phenylimidazol-1-yl)butanedioic acid
InChI:
InChI=1S/C14H14N2O4/c1-9-8-16(11(14(19)20)7-12(17)18)13(15-9)10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,17,18)(H,19,20)
InChI Key:
ATOFTLRGFAVVIU-UHFFFAOYSA-N
SMILES:
OC(=O)CC(n1cc(nc1c1ccccc1)C)C(=O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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