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78149-93-6 | Benzeneacetic acid, a-2-propen-1-yl-,3-(diethylamino)propyl ester
CAS No: 78149-93-6 Catalog No: AG005DLY MDL No:
Product Description
Catalog Number:
AG005DLY
Chemical Name:
Benzeneacetic acid, a-2-propen-1-yl-,3-(diethylamino)propyl ester
CAS Number:
78149-93-6
Molecular Formula:
C18H27NO2
Molecular Weight:
289.4125
IUPAC Name:
3-(diethylamino)propyl 2-phenylpent-4-enoate
InChI:
InChI=1S/C18H27NO2/c1-4-11-17(16-12-8-7-9-13-16)18(20)21-15-10-14-19(5-2)6-3/h4,7-9,12-13,17H,1,5-6,10-11,14-15H2,2-3H3
InChI Key:
CJERJLDNZDROTP-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccc1)C(=O)OCCCN(CC)CC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.204g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.419g/mol
Monoisotopic Mass:
289.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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