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798571-66-1 | Cyclohexanecarboxylic acid, 2-(1H-imidazol-1-yl)ethyl ester
CAS No: 798571-66-1 Catalog No: AG005553 MDL No:
Product Description
Catalog Number:
AG005553
Chemical Name:
Cyclohexanecarboxylic acid, 2-(1H-imidazol-1-yl)ethyl ester
CAS Number:
798571-66-1
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
2-imidazol-1-ylethyl cyclohexanecarboxylate
InChI:
InChI=1S/C12H18N2O2/c15-12(11-4-2-1-3-5-11)16-9-8-14-7-6-13-10-14/h6-7,10-11H,1-5,8-9H2
InChI Key:
BITIVYUNLYNIOR-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)OCCn1cncc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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