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20366-07-8 | Tricyclo[3.3.1.13,7]decane-1,3-diol, 5,7-dimethyl-, 1,3-diacetate
CAS No: 20366-07-8 Catalog No: AG00292I MDL No:
Product Description
Catalog Number:
AG00292I
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1,3-diol, 5,7-dimethyl-, 1,3-diacetate
CAS Number:
20366-07-8
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
(3-acetyloxy-5,7-dimethyl-1-adamantyl) acetate
InChI:
InChI=1S/C16H24O4/c1-11(17)19-15-6-13(3)5-14(4,7-15)9-16(8-13,10-15)20-12(2)18/h5-10H2,1-4H3
InChI Key:
CUZHDLZZCCPIFX-UHFFFAOYSA-N
SMILES:
CC(=O)OC12CC3(OC(=O)C)CC(C2)(CC(C1)(C3)C)C
NSC Number:
193485
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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