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13926-69-7 | 1,8-Dioxacyclotetradecane-2,7-dione
CAS No: 13926-69-7 Catalog No: AG001AL3 MDL No:
Product Description
Catalog Number:
AG001AL3
Chemical Name:
1,8-Dioxacyclotetradecane-2,7-dione
CAS Number:
13926-69-7
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
IUPAC Name:
1,8-dioxacyclotetradecane-2,7-dione
InChI:
InChI=1S/C12H20O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h1-10H2
InChI Key:
RNQBCZCPNUHWLV-UHFFFAOYSA-N
SMILES:
O=C1CCCCC(=O)OCCCCCCO1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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