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114480-17-0 | 2,4-Hexadienoic acid, 6-(dicyclohexylamino)-, ethyl ester, (E,E)- (9CI)
CAS No: 114480-17-0 Catalog No: AG000EI0 MDL No:
Product Description
Catalog Number:
AG000EI0
Chemical Name:
2,4-Hexadienoic acid, 6-(dicyclohexylamino)-, ethyl ester, (E,E)- (9CI)
CAS Number:
114480-17-0
Molecular Formula:
C20H33NO2
Molecular Weight:
319.4815
IUPAC Name:
ethyl 6-(dicyclohexylamino)hexa-2,4-dienoate
InChI:
InChI=1S/C20H33NO2/c1-2-23-20(22)16-10-5-11-17-21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h5,10-11,16,18-19H,2-4,6-9,12-15,17H2,1H3
InChI Key:
ZFMUEXFZTKQEAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/C=C/CN(C1CCCCC1)C1CCCCC1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.489g/mol
Monoisotopic Mass:
319.251g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
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