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14557-50-7 | Benzeneacetic acid, α-[2-(diethylamino)ethyl]-α-2-propen-1-yl-, ethyl ester
CAS No: 14557-50-7 Catalog No: AG001D77 MDL No:
Product Description
Catalog Number:
AG001D77
Chemical Name:
Benzeneacetic acid, α-[2-(diethylamino)ethyl]-α-2-propen-1-yl-, ethyl ester
CAS Number:
14557-50-7
Molecular Formula:
C19H29NO2
Molecular Weight:
303.4391
IUPAC Name:
ethyl 2-[2-(diethylamino)ethyl]-2-phenylpent-4-enoate
InChI:
InChI=1S/C19H29NO2/c1-5-14-19(18(21)22-8-4,15-16-20(6-2)7-3)17-12-10-9-11-13-17/h5,9-13H,1,6-8,14-16H2,2-4H3
InChI Key:
QSZYQIVLOSDTSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)(CCN(CC)CC)CC=C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.446g/mol
Monoisotopic Mass:
303.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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