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15806-42-5 | 2-Butenoic acid, 4-(hexadecylamino)-4-oxo-, (2Z)-
CAS No: 15806-42-5 Catalog No: AG001PY5 MDL No:
Product Description
Catalog Number:
AG001PY5
Chemical Name:
2-Butenoic acid, 4-(hexadecylamino)-4-oxo-, (2Z)-
CAS Number:
15806-42-5
Molecular Formula:
C20H37NO3
Molecular Weight:
339.5127
IUPAC Name:
4-(hexadecylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(23)24/h16-17H,2-15,18H2,1H3,(H,21,22)(H,23,24)
InChI Key:
BBTWPENPOIZEIL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)O
EC Number:
239-907-3
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.52g/mol
Monoisotopic Mass:
339.277g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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