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113591-61-0 | 1,2-Cyclohexanedicarboxylic acid, 1,1'-(1,6-hexanediyl) ester
CAS No: 113591-61-0 Catalog No: AG00092J MDL No:
Product Description
Catalog Number:
AG00092J
Chemical Name:
1,2-Cyclohexanedicarboxylic acid, 1,1'-(1,6-hexanediyl) ester
CAS Number:
113591-61-0
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
3,10-dioxabicyclo[10.4.0]hexadecane-2,11-dione
InChI:
InChI=1S/C14H22O4/c15-13-11-7-3-4-8-12(11)14(16)18-10-6-2-1-5-9-17-13/h11-12H,1-10H2
InChI Key:
QRQRFFYXXWXBMU-UHFFFAOYSA-N
SMILES:
O=C1OCCCCCCOC(=O)C2C1CCCC2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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