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27841-04-9 | Heptanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
CAS No: 27841-04-9 Catalog No: AG002UX0 MDL No:
Product Description
Catalog Number:
AG002UX0
Chemical Name:
Heptanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
CAS Number:
27841-04-9
IUPAC Name:
(3-heptanoyloxy-2,2-dimethylpropyl) heptanoate
InChI:
InChI=1S/C19H36O4/c1-5-7-9-11-13-17(20)22-15-19(3,4)16-23-18(21)14-12-10-8-6-2/h5-16H2,1-4H3
InChI Key:
NRTKYSGFUISGRQ-UHFFFAOYSA-N
EC Number:
248-687-8
UNII:
5LKW3C543X
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.493g/mol
Monoisotopic Mass:
328.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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