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Home > Imidazoles > 95923-66-3
95923-66-3 | ETHYL 6-[4-(5-IMIDAZOL-1-YLPENTOXY)PHENOXY]-2,2-DIMETHYL-HEXANOATE
CAS No: 95923-66-3 Catalog No: AG00H6JN MDL No:
Product Description
Catalog Number:
AG00H6JN
Chemical Name:
ETHYL 6-[4-(5-IMIDAZOL-1-YLPENTOXY)PHENOXY]-2,2-DIMETHYL-HEXANOATE
CAS Number:
95923-66-3
Molecular Formula:
C24H36N2O4
Molecular Weight:
416.5536
IUPAC Name:
ethyl 6-[4-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoate
InChI:
InChI=1S/C24H36N2O4/c1-4-28-23(27)24(2,3)14-6-9-19-30-22-12-10-21(11-13-22)29-18-8-5-7-16-26-17-15-25-20-26/h10-13,15,17,20H,4-9,14,16,18-19H2,1-3H3
InChI Key:
OFCXZLBZYMCRLB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CCCCOc1ccc(cc1)OCCCCCn1ccnc1)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.268g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.562g/mol
Monoisotopic Mass:
416.268g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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