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797758-44-2 | Pentanoic acid, 5-amino-4-oxo-, undecyl ester
CAS No: 797758-44-2 Catalog No: AG00506I MDL No:
Product Description
Catalog Number:
AG00506I
Chemical Name:
Pentanoic acid, 5-amino-4-oxo-, undecyl ester
CAS Number:
797758-44-2
Molecular Formula:
C16H31NO3
Molecular Weight:
285.4222
IUPAC Name:
undecyl 5-amino-4-oxopentanoate
InChI:
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-13-20-16(19)12-11-15(18)14-17/h2-14,17H2,1H3
InChI Key:
UBVWRJGKIXYTNW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCOC(=O)CCC(=O)CN
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.23g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.428g/mol
Monoisotopic Mass:
285.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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