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Home > Other Heterocycles > 2059955-80-3
2059955-80-3 | 3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]
CAS No: 2059955-80-3 Catalog No: AG01BZOC MDL No:MFCD30488776
Product Description
Catalog Number:
AG01BZOC
Chemical Name:
3-oxaspiro[bicyclo[5.1.0]octane-4,1'-cyclohexane]
CAS Number:
2059955-80-3
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
MDL Number:
MFCD30488776
IUPAC Name:
spiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
InChI:
InChI=1S/C12H20O/c1-2-5-12(6-3-1)7-4-10-8-11(10)9-13-12/h10-11H,1-9H2
InChI Key:
TZYBIHPESKGMDF-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)CCC1C(CO2)C1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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