Home Other Building Blocks 1-Hydroxymethyladamantan-4-oneEthyleneKetal-H28045

1-Hydroxymethyladamantan-4-oneEthyleneKetal-H28045

CAS No.:
110852-41-0
Catalog Number:
AG019G1S
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
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Product Description
Catalog Number:
AG019G1S
Chemical Name:
1-Hydroxymethyladamantan-4-oneEthyleneKetal-H28045
CAS Number:
110852-41-0
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
MDL Number:
MFCD28016230
IUPAC Name:
spiro[1,3-dioxolane-2,4'-adamantane]-1'-ylmethanol
InChI:
InChI=1S/C13H20O3/c14-8-12-5-9-3-10(6-12)13(11(4-9)7-12)15-1-2-16-13/h9-11,14H,1-8H2
InChI Key:
FPNISAZZENBHIV-UHFFFAOYSA-N
SMILES:
OCC12CC3CC(C2)C2(C(C1)C3)OCCO2
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties