Home Other Building Blocks (3-hydroxyadamantan-1-yl)methylacetate-H28625

(3-hydroxyadamantan-1-yl)methylacetate-H28625

CAS No.:
84938-44-3
Catalog Number:
AG019G4R
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
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Product Description
Catalog Number:
AG019G4R
Chemical Name:
(3-hydroxyadamantan-1-yl)methylacetate-H28625
CAS Number:
84938-44-3
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
MDL Number:
MFCD18800652
IUPAC Name:
(3-hydroxy-1-adamantyl)methyl acetate
InChI:
InChI=1S/C13H20O3/c1-9(14)16-8-12-3-10-2-11(4-12)6-13(15,5-10)7-12/h10-11,15H,2-8H2,1H3
InChI Key:
TVHARAGBLXWMGF-UHFFFAOYSA-N
SMILES:
CC(=O)OCC12CC3CC(C1)CC(C2)(C3)O
Properties
Complexity:
309  
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:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties