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Home > Other Heterocycles > 161276-73-9
161276-73-9 | Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-2-phenyl-, (1R,2R,4S)-
CAS No: 161276-73-9 Catalog No: AG001SA5 MDL No:
Product Description
Catalog Number:
AG001SA5
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-2-phenyl-, (1R,2R,4S)-
CAS Number:
161276-73-9
Molecular Formula:
C16H22O
Molecular Weight:
230.3453
IUPAC Name:
(1R,2R,4S)-1,3,3-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
InChI:
InChI=1S/C16H22O/c1-14(2)13-9-10-15(3,11-13)16(14,17)12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3/t13-,15+,16-/m0/s1
InChI Key:
CFNBWILWJDXHSR-IMJJTQAJSA-N
SMILES:
O[C@]1(c2ccccc2)[C@]2(C)CC[C@H](C1(C)C)C2
Properties
Complexity:
316
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:
1
Isotope Atom Count:
0
Molecular Weight:
230.351g/mol
Monoisotopic Mass:
230.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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