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741624-24-8 | 1H-Imidazole-5-aceticacid, 2-(1-methylethyl)-
CAS No: 741624-24-8 Catalog No: AG005DVM MDL No:MFCD18808586
Product Description
Catalog Number:
AG005DVM
Chemical Name:
1H-Imidazole-5-aceticacid, 2-(1-methylethyl)-
CAS Number:
741624-24-8
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD18808586
IUPAC Name:
2-(2-propan-2-yl-1H-imidazol-5-yl)acetic acid
InChI:
InChI=1S/C8H12N2O2/c1-5(2)8-9-4-6(10-8)3-7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
URMMYBWJJRJLON-UHFFFAOYSA-N
SMILES:
CC(c1ncc([nH]1)CC(=O)O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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