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72785-15-0 | 1,4-Dioxacycloheptadecane-5,17-dione,7-methyl-
CAS No: 72785-15-0 Catalog No: AG005F0R MDL No:
Product Description
Catalog Number:
AG005F0R
Chemical Name:
1,4-Dioxacycloheptadecane-5,17-dione,7-methyl-
CAS Number:
72785-15-0
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
IUPAC Name:
7-methyl-1,4-dioxacycloheptadecane-5,17-dione
InChI:
InChI=1S/C16H28O4/c1-14-9-7-5-3-2-4-6-8-10-15(17)19-11-12-20-16(18)13-14/h14H,2-13H2,1H3
InChI Key:
OQCIWLIZZWIBRK-UHFFFAOYSA-N
SMILES:
CC1CCCCCCCCCC(=O)OCCOC(=O)C1
EC Number:
276-836-7
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.396g/mol
Monoisotopic Mass:
284.199g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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