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876150-10-6 | Pentanedioic acid, 2-oxo-, 1-hexadecyl ester
CAS No: 876150-10-6 Catalog No: AG004I2K MDL No:
Product Description
Catalog Number:
AG004I2K
Chemical Name:
Pentanedioic acid, 2-oxo-, 1-hexadecyl ester
CAS Number:
876150-10-6
Molecular Formula:
C21H37O5-
Molecular Weight:
369.5155
IUPAC Name:
5-hexadecoxy-4,5-dioxopentanoate
InChI:
InChI=1S/C21H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(25)19(22)16-17-20(23)24/h2-18H2,1H3,(H,23,24)/p-1
InChI Key:
PUKFTTLRRDQDHK-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCOC(=O)C(=O)CCC(=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.264g/mol
Formal Charge:
-1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.522g/mol
Monoisotopic Mass:
369.264g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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