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105615-40-5 | Octanoic acid, nonylphenyl ester
CAS No: 105615-40-5 Catalog No: AG007E6G MDL No:
Product Description
Catalog Number:
AG007E6G
Chemical Name:
Octanoic acid, nonylphenyl ester
CAS Number:
105615-40-5
Molecular Formula:
C23H38O2
Molecular Weight:
346.5466
IUPAC Name:
(2-nonylphenyl) octanoate
InChI:
InChI=1S/C23H38O2/c1-3-5-7-9-10-12-13-17-21-18-15-16-19-22(21)25-23(24)20-14-11-8-6-4-2/h15-16,18-19H,3-14,17,20H2,1-2H3
InChI Key:
NEQGIKSYHRLGAZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1ccccc1OC(=O)CCCCCCC
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.287g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.555g/mol
Monoisotopic Mass:
346.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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