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917561-98-9 | 2-(2-Isopropyl-imidazol-1-yl)-propionic acid
CAS No: 917561-98-9 Catalog No: AG01EZ3O MDL No:
Product Description
Catalog Number:
AG01EZ3O
Chemical Name:
2-(2-Isopropyl-imidazol-1-yl)-propionic acid
CAS Number:
917561-98-9
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
2-(2-propan-2-ylimidazol-1-yl)propanoic acid
InChI:
InChI=1S/C9H14N2O2/c1-6(2)8-10-4-5-11(8)7(3)9(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key:
QMNCDROLDBBKDH-UHFFFAOYSA-N
SMILES:
CC(n1ccnc1C(C)C)C(=O)O
Properties
Complexity:
194
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:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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