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Home > Imidazoles > 52099-78-2
52099-78-2 | 3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid
CAS No: 52099-78-2 Catalog No: AG00DFE2 MDL No:MFCD08056613
Product Description
Catalog Number:
AG00DFE2
Chemical Name:
3-Isopropenyl-2-oxo-1-benzimidazolinebutyric Acid
CAS Number:
52099-78-2
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD08056613
IUPAC Name:
4-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)butanoic acid
InChI:
InChI=1S/C14H16N2O3/c1-10(2)16-12-7-4-3-6-11(12)15(14(16)19)9-5-8-13(17)18/h3-4,6-7H,1,5,8-9H2,2H3,(H,17,18)
InChI Key:
KHMLJSRRGUTSPA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1c(=O)n(c2c1cccc2)C(=C)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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