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820222-54-6 | Spiro[3.4]octan-5-ol, 5,6,6-trimethyl-
CAS No: 820222-54-6 Catalog No: AG005E1O MDL No:
Product Description
Catalog Number:
AG005E1O
Chemical Name:
Spiro[3.4]octan-5-ol, 5,6,6-trimethyl-
CAS Number:
820222-54-6
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
7,7,8-trimethylspiro[3.4]octan-8-ol
InChI:
InChI=1S/C11H20O/c1-9(2)7-8-11(5-4-6-11)10(9,3)12/h12H,4-8H2,1-3H3
InChI Key:
CUEQSPNEOXGVRL-UHFFFAOYSA-N
SMILES:
CC1(C)CCC2(C1(C)O)CCC2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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