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68887-67-2 | 7-(1-Imidazolyl)heptanoic acid
CAS No: 68887-67-2 Catalog No: AG006FYR MDL No:
Product Description
Catalog Number:
AG006FYR
Chemical Name:
7-(1-Imidazolyl)heptanoic acid
CAS Number:
68887-67-2
Molecular Formula:
C10H16N2O2
Molecular Weight:
196.2462
IUPAC Name:
7-imidazol-1-ylheptanoic acid
InChI:
InChI=1S/C10H16N2O2/c13-10(14)5-3-1-2-4-7-12-8-6-11-9-12/h6,8-9H,1-5,7H2,(H,13,14)
InChI Key:
KZUXSHYAXPMDNJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCn1ccnc1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.25g/mol
Monoisotopic Mass:
196.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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