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85508-27-6 | 2-Butenoic acid,4-[bis(2-ethylhexyl)amino]-4-oxo-
CAS No: 85508-27-6 Catalog No: AG004MRE MDL No:
Product Description
Catalog Number:
AG004MRE
Chemical Name:
2-Butenoic acid,4-[bis(2-ethylhexyl)amino]-4-oxo-
CAS Number:
85508-27-6
Molecular Formula:
C20H37NO3
Molecular Weight:
339.5127
IUPAC Name:
(E)-4-[bis(2-ethylhexyl)amino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C20H37NO3/c1-5-9-11-17(7-3)15-21(19(22)13-14-20(23)24)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)/b14-13+
InChI Key:
NKMCVFGPISGASH-BUHFOSPRSA-N
SMILES:
CCCCC(CN(C(=O)C=CC(=O)O)CC(CCCC)CC)CC
EC Number:
287-452-4
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
339.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.52g/mol
Monoisotopic Mass:
339.277g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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