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827044-73-5 | Propanedioic acid, (acetyl-4-pentenylamino)-, diethyl ester
CAS No: 827044-73-5 Catalog No: AG0050TB MDL No:
Product Description
Catalog Number:
AG0050TB
Chemical Name:
Propanedioic acid, (acetyl-4-pentenylamino)-, diethyl ester
CAS Number:
827044-73-5
Molecular Formula:
C14H23NO5
Molecular Weight:
285.3361
IUPAC Name:
diethyl 2-[acetyl(pent-4-enyl)amino]propanedioate
InChI:
InChI=1S/C14H23NO5/c1-5-8-9-10-15(11(4)16)12(13(17)19-6-2)14(18)20-7-3/h5,12H,1,6-10H2,2-4H3
InChI Key:
QKDDRYAHOQQDIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N(C(=O)C)CCCC=C)C(=O)OCC
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.34g/mol
Monoisotopic Mass:
285.158g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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