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827611-95-0 | Heptanedioic acid, mono[2-[(1-oxo-10-undecenyl)amino]ethyl] ester
CAS No: 827611-95-0 Catalog No: AG004YSC MDL No:
Product Description
Catalog Number:
AG004YSC
Chemical Name:
Heptanedioic acid, mono[2-[(1-oxo-10-undecenyl)amino]ethyl] ester
CAS Number:
827611-95-0
Molecular Formula:
C20H34NO5-
Molecular Weight:
368.4877
IUPAC Name:
7-oxo-7-[2-(undec-10-enoylamino)ethoxy]heptanoate
InChI:
InChI=1S/C20H35NO5/c1-2-3-4-5-6-7-8-10-13-18(22)21-16-17-26-20(25)15-12-9-11-14-19(23)24/h2H,1,3-17H2,(H,21,22)(H,23,24)/p-1
InChI Key:
FVPUBFRFSAJPMP-UHFFFAOYSA-M
SMILES:
C=CCCCCCCCCC(=O)NCCOC(=O)CCCCCC(=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.244g/mol
Formal Charge:
-1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.494g/mol
Monoisotopic Mass:
368.244g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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