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87906-25-0 | 2-Butenoic acid, 4-(hexadecylamino)-4-oxo-, ethyl ester, (E)-
CAS No: 87906-25-0 Catalog No: AG004HKZ MDL No:
Product Description
Catalog Number:
AG004HKZ
Chemical Name:
2-Butenoic acid, 4-(hexadecylamino)-4-oxo-, ethyl ester, (E)-
CAS Number:
87906-25-0
Molecular Formula:
C22H41NO3
Molecular Weight:
367.5658
IUPAC Name:
ethyl 4-(hexadecylamino)-4-oxobut-2-enoate
InChI:
InChI=1S/C22H41NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26-4-2/h18-19H,3-17,20H2,1-2H3,(H,23,24)
InChI Key:
VSWIPEVMAWHPFC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNC(=O)/C=C/C(=O)OCC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.309g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.574g/mol
Monoisotopic Mass:
367.309g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
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