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Home > Other Heterocycles > 826-45-9
826-45-9 | Bicyclo[2.2.2]octane-1,4-diyldimethanol
CAS No: 826-45-9 Catalog No: AG004XMC MDL No:MFCD23135544
Product Description
Catalog Number:
AG004XMC
Chemical Name:
Bicyclo[2.2.2]octane-1,4-diyldimethanol
CAS Number:
826-45-9
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
MDL Number:
MFCD23135544
IUPAC Name:
[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methanol
InChI:
InChI=1S/C10H18O2/c11-7-9-1-2-10(8-12,5-3-9)6-4-9/h11-12H,1-8H2
InChI Key:
DLBHMXBDKPROEG-UHFFFAOYSA-N
SMILES:
OCC12CCC(CC1)(CC2)CO
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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