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90251-20-0 | 1H-Imidazole-4-heptanoic acid, 2,3-dihydro-2-oxo-
CAS No: 90251-20-0 Catalog No: AG006I9H MDL No:
Product Description
Catalog Number:
AG006I9H
Chemical Name:
1H-Imidazole-4-heptanoic acid, 2,3-dihydro-2-oxo-
CAS Number:
90251-20-0
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
IUPAC Name:
7-(2-oxo-1,3-dihydroimidazol-4-yl)heptanoic acid
InChI:
InChI=1S/C10H16N2O3/c13-9(14)6-4-2-1-3-5-8-7-11-10(15)12-8/h7H,1-6H2,(H,13,14)(H2,11,12,15)
InChI Key:
ULMXMXBBYMNWFR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCc1c[nH]c(=O)[nH]1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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