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15845-89-3 | Nonanedioic acid, 1,9-diheptyl ester
CAS No: 15845-89-3 Catalog No: AG001Q7V MDL No:
Product Description
Catalog Number:
AG001Q7V
Chemical Name:
Nonanedioic acid, 1,9-diheptyl ester
CAS Number:
15845-89-3
Molecular Formula:
C23H44O4
Molecular Weight:
384.5931
IUPAC Name:
diheptyl nonanedioate
InChI:
InChI=1S/C23H44O4/c1-3-5-7-12-16-20-26-22(24)18-14-10-9-11-15-19-23(25)27-21-17-13-8-6-4-2/h3-21H2,1-2H3
InChI Key:
NIDHDOICQFDSIK-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCC
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.324g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.601g/mol
Monoisotopic Mass:
384.324g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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