Home Other Building Blocks Adamantan-1-ylmethyl acetate

Adamantan-1-ylmethyl acetate

CAS No.:
778-11-0
Catalog Number:
AG01D8QU
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
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Product Description
Catalog Number:
AG01D8QU
Chemical Name:
Adamantan-1-ylmethyl acetate
CAS Number:
778-11-0
Molecular Formula:
C13H20O2
Molecular Weight:
208.2967
MDL Number:
MFCD18909760
IUPAC Name:
1-adamantylmethyl acetate
InChI:
InChI=1S/C13H20O2/c1-9(14)15-8-13-5-10-2-11(6-13)4-12(3-10)7-13/h10-12H,2-8H2,1H3
InChI Key:
KKJMYDWRRJHYOE-UHFFFAOYSA-N
SMILES:
CC(=O)OCC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.146g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.301g/mol
Monoisotopic Mass:
208.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties