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1459-55-8 | Tricyclo[3.3.1.13,7]decane, 1-(4-methylphenyl)-
CAS No: 1459-55-8 Catalog No: AG001DI9 MDL No:MFCD00181038
Product Description
Catalog Number:
AG001DI9
Chemical Name:
Tricyclo[3.3.1.13,7]decane, 1-(4-methylphenyl)-
CAS Number:
1459-55-8
Molecular Formula:
C17H22
Molecular Weight:
226.3566
MDL Number:
MFCD00181038
IUPAC Name:
1-(4-methylphenyl)adamantane
InChI:
InChI=1S/C17H22/c1-12-2-4-16(5-3-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3
InChI Key:
RFQXTZGKFOTWFL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C12CC3CC(C2)CC(C1)C3
NSC Number:
176093
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.172g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.363g/mol
Monoisotopic Mass:
226.172g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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