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84713-06-4 | Dodecanoic acid, isooctyl ester
CAS No: 84713-06-4 Catalog No: AG004SDR MDL No:
Product Description
Catalog Number:
AG004SDR
Chemical Name:
Dodecanoic acid, isooctyl ester
CAS Number:
84713-06-4
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
6-methylheptyl dodecanoate
InChI:
InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-14-17-20(21)22-18-15-12-13-16-19(2)3/h19H,4-18H2,1-3H3
InChI Key:
UNOGLHIYPXTOGD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCCCCC(C)C
EC Number:
283-798-5
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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