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Home > Other Heterocycles > 6975-20-8
6975-20-8 | dispiro[4.1.4.1]dodecane-6,12-diol
CAS No: 6975-20-8 Catalog No: AG005I9E MDL No:
Product Description
Catalog Number:
AG005I9E
Chemical Name:
dispiro[4.1.4.1]dodecane-6,12-diol
CAS Number:
6975-20-8
Molecular Formula:
C12H20O2
Molecular Weight:
196.2860
IUPAC Name:
dispiro[4.1.47.15]dodecane-6,12-diol
InChI:
InChI=1S/C12H20O2/c13-9-11(5-1-2-6-11)10(14)12(9)7-3-4-8-12/h9-10,13-14H,1-8H2
InChI Key:
UXTAELSTMMPOKP-UHFFFAOYSA-N
SMILES:
OC1C2(CCCC2)C(C21CCCC2)O
NSC Number:
22086
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.146g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.29g/mol
Monoisotopic Mass:
196.146g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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