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88210-52-0 | 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 3,5,5-trimethylhexyl ester
CAS No: 88210-52-0 Catalog No: AG004BYA MDL No:
Product Description
Catalog Number:
AG004BYA
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 3,5,5-trimethylhexyl ester
CAS Number:
88210-52-0
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.3633
IUPAC Name:
3,5,5-trimethylhexyl 3-(1H-imidazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C15H24N2O2/c1-12(9-15(2,3)4)7-8-19-14(18)6-5-13-10-16-11-17-13/h5-6,10-12H,7-9H2,1-4H3,(H,16,17)
InChI Key:
ROVPZYNXIUVMKL-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)CCOC(=O)C=Cc1nc[nH]c1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.184g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.369g/mol
Monoisotopic Mass:
264.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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