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Home > Imidazoles > 1314897-50-1
1314897-50-1 | 2-(1H-imidazol-1-yl)-4-methylpentanoic acid
CAS No: 1314897-50-1 Catalog No: AG01B4VK MDL No:MFCD08668216
Product Description
Catalog Number:
AG01B4VK
Chemical Name:
2-(1H-imidazol-1-yl)-4-methylpentanoic acid
CAS Number:
1314897-50-1
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD08668216
IUPAC Name:
2-imidazol-1-yl-4-methylpentanoic acid
InChI:
InChI=1S/C9H14N2O2/c1-7(2)5-8(9(12)13)11-4-3-10-6-11/h3-4,6-8H,5H2,1-2H3,(H,12,13)
InChI Key:
PJQNDAFEYAGZDY-UHFFFAOYSA-N
SMILES:
CC(CC(n1cncc1)C(=O)O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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