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950-21-0 | Dispiro[5.1.5.1]tetradecane-7,14-dione
CAS No: 950-21-0 Catalog No: AG005TKR MDL No:
Product Description
Catalog Number:
AG005TKR
Chemical Name:
Dispiro[5.1.5.1]tetradecane-7,14-dione
CAS Number:
950-21-0
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
dispiro[5.1.58.16]tetradecane-7,14-dione
InChI:
InChI=1S/C14H20O2/c15-11-13(7-3-1-4-8-13)12(16)14(11)9-5-2-6-10-14/h1-10H2
InChI Key:
NQCABGRZRRCWPC-UHFFFAOYSA-N
SMILES:
O=C1C2(CCCCC2)C(=O)C21CCCCC2
NSC Number:
22088
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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