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Home > Other Heterocycles > 17851-86-4
17851-86-4 | 7-Oxabicyclo[4.1.0]heptane, 4-(1,1-dimethylethyl)-1-phenyl-, (1α,4α,6α)- (9CI)
CAS No: 17851-86-4 Catalog No: AG002655 MDL No:
Product Description
Catalog Number:
AG002655
Chemical Name:
7-Oxabicyclo[4.1.0]heptane, 4-(1,1-dimethylethyl)-1-phenyl-, (1α,4α,6α)- (9CI)
CAS Number:
17851-86-4
IUPAC Name:
(1R,4S,6R)-4-tert-butyl-1-phenyl-7-oxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C16H22O/c1-15(2,3)13-9-10-16(14(11-13)17-16)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3/t13-,14+,16+/m0/s1
InChI Key:
HMDSXEJWYVODOY-SQWLQELKSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
230.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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