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Home > Imidazoles > 88940-58-3
88940-58-3 | 1H-Imidazole-1-hexanoic acid, phenylmethyl ester
CAS No: 88940-58-3 Catalog No: AG0089W4 MDL No:
Product Description
Catalog Number:
AG0089W4
Chemical Name:
1H-Imidazole-1-hexanoic acid, phenylmethyl ester
CAS Number:
88940-58-3
Molecular Formula:
C16H20N2O2
Molecular Weight:
272.3422
IUPAC Name:
benzyl 6-imidazol-1-ylhexanoate
InChI:
InChI=1S/C16H20N2O2/c19-16(20-13-15-7-3-1-4-8-15)9-5-2-6-11-18-12-10-17-14-18/h1,3-4,7-8,10,12,14H,2,5-6,9,11,13H2
InChI Key:
LEBQHYLFOLUFIQ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCCCn1cncc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.348g/mol
Monoisotopic Mass:
272.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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