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101710-52-5 | Ethanaminium, N,N,N-triethyl-2-[[4-(2-phenylethenyl)benzoyl]oxy]-, iodide (1:1)
CAS No: 101710-52-5 Catalog No: AG00059I MDL No:
Product Description
Catalog Number:
AG00059I
Chemical Name:
Ethanaminium, N,N,N-triethyl-2-[[4-(2-phenylethenyl)benzoyl]oxy]-, iodide (1:1)
CAS Number:
101710-52-5
Molecular Formula:
C23H30INO2
Molecular Weight:
479.3943
IUPAC Name:
4-(2-phenylethenyl)benzoate;triethyl(2-hydroxyethyl)azanium;iodide
InChI:
InChI=1S/C15H12O2.2C8H20NO.HI/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12;2*1-4-9(5-2,6-3)7-8-10;/h1-11H,(H,16,17);2*10H,4-8H2,1-3H3;1H/q;2*+1;/p-2
InChI Key:
SJZVOTCVHGHUPI-UHFFFAOYSA-L
SMILES:
CC[N+](CCOC(=O)c1ccc(cc1)C=Cc1ccccc1)(CC)CC.[I-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
642.289g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
642.663g/mol
Monoisotopic Mass:
642.289g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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