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Home > Imidazoles > 72338-51-3
72338-51-3 | 1H-Imidazole-1-hexanoic acid, ethyl ester
CAS No: 72338-51-3 Catalog No: AG0067FA MDL No:
Product Description
Catalog Number:
AG0067FA
Chemical Name:
1H-Imidazole-1-hexanoic acid, ethyl ester
CAS Number:
72338-51-3
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
ethyl 6-imidazol-1-ylhexanoate
InChI:
InChI=1S/C11H18N2O2/c1-2-15-11(14)6-4-3-5-8-13-9-7-12-10-13/h7,9-10H,2-6,8H2,1H3
InChI Key:
BUSHGTZWACEKSA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCn1ccnc1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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