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125157-61-1 | 1H-Imidazole-5-propanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 125157-61-1 Catalog No: AG000N98 MDL No:
Product Description
Catalog Number:
AG000N98
Chemical Name:
1H-Imidazole-5-propanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
125157-61-1
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
IUPAC Name:
3-[3-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
InChI:
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)13-7-12-6-8(13)4-5-9(14)15/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key:
HGOGWWZKLCZNNS-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cncn1C(=O)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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