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69247-88-7 | Nonanoic acid,isotridecyl ester (9CI)
CAS No: 69247-88-7 Catalog No: AG005K8P MDL No:
Product Description
Catalog Number:
AG005K8P
Chemical Name:
Nonanoic acid,isotridecyl ester (9CI)
CAS Number:
69247-88-7
Molecular Formula:
C22H44O2
Molecular Weight:
340.5836
IUPAC Name:
11-methyldodecyl nonanoate
InChI:
InChI=1S/C22H44O2/c1-4-5-6-7-13-16-19-22(23)24-20-17-14-11-9-8-10-12-15-18-21(2)3/h21H,4-20H2,1-3H3
InChI Key:
TWEZFVUFZGJVTF-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)OCCCCCCCCCCC(C)C
EC Number:
273-936-2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.334g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.592g/mol
Monoisotopic Mass:
340.334g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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