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833461-24-8 | 5-Hexenoic acid, 2-[1-(phenylamino)ethylidene]-, ethyl ester, (2Z)-
CAS No: 833461-24-8 Catalog No: AG0055MD MDL No:
Product Description
Catalog Number:
AG0055MD
Chemical Name:
5-Hexenoic acid, 2-[1-(phenylamino)ethylidene]-, ethyl ester, (2Z)-
CAS Number:
833461-24-8
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
ethyl 2-(1-anilinoethylidene)hex-5-enoate
InChI:
InChI=1S/C16H21NO2/c1-4-6-12-15(16(18)19-5-2)13(3)17-14-10-8-7-9-11-14/h4,7-11,17H,1,5-6,12H2,2-3H3
InChI Key:
XMUDITJSFKAXOV-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C(\Nc1ccccc1)/C)/CCC=C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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