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Home > Imidazoles > 69445-80-3
69445-80-3 | 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 2-ethylhexyl ester
CAS No: 69445-80-3 Catalog No: AG005M30 MDL No:
Product Description
Catalog Number:
AG005M30
Chemical Name:
2-Propenoic acid, 3-(1H-imidazol-4-yl)-, 2-ethylhexyl ester
CAS Number:
69445-80-3
Molecular Formula:
C14H22N2O2
Molecular Weight:
250.3367
IUPAC Name:
2-ethylhexyl 3-(1H-imidazol-5-yl)prop-2-enoate
InChI:
InChI=1S/C14H22N2O2/c1-3-5-6-12(4-2)10-18-14(17)8-7-13-9-15-11-16-13/h7-9,11-12H,3-6,10H2,1-2H3,(H,15,16)
InChI Key:
OZMBLHNISBIGOF-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C=Cc1c[nH]cn1)CC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.168g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.342g/mol
Monoisotopic Mass:
250.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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