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Home > Other Heterocycles > 116316-00-8
116316-00-8 | Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-(triphenylmethoxy)-
CAS No: 116316-00-8 Catalog No: AG000C6S MDL No:
Product Description
Catalog Number:
AG000C6S
Chemical Name:
Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-(triphenylmethoxy)-
CAS Number:
116316-00-8
Molecular Formula:
C29H32O
Molecular Weight:
396.5638
IUPAC Name:
1,7,7-trimethyl-2-trityloxybicyclo[2.2.1]heptane
InChI:
InChI=1S/C29H32O/c1-27(2)25-19-20-28(27,3)26(21-25)30-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-26H,19-21H2,1-3H3
InChI Key:
YIQDZHOXNJPGIJ-UHFFFAOYSA-N
SMILES:
CC12CCC(C2(C)C)CC1OC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.245g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.574g/mol
Monoisotopic Mass:
396.245g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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