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Home > Other Heterocycles > 113332-11-9
113332-11-9 | 1-Octyn-3-ol, 1-[3-(phenylmethyl)bicyclo[2.2.1]hept-2-yl]-
CAS No: 113332-11-9 Catalog No: AG0079AA MDL No:
Product Description
Catalog Number:
AG0079AA
Chemical Name:
1-Octyn-3-ol, 1-[3-(phenylmethyl)bicyclo[2.2.1]hept-2-yl]-
CAS Number:
113332-11-9
Molecular Formula:
C22H30O
Molecular Weight:
310.4730
IUPAC Name:
1-(3-benzyl-2-bicyclo[2.2.1]heptanyl)oct-1-yn-3-ol
InChI:
InChI=1S/C22H30O/c1-2-3-5-10-20(23)13-14-21-18-11-12-19(16-18)22(21)15-17-8-6-4-7-9-17/h4,6-9,18-23H,2-3,5,10-12,15-16H2,1H3
InChI Key:
HUKCRZDKVXUQLI-UHFFFAOYSA-N
SMILES:
CCCCCC(C#CC1C2CCC(C1Cc1ccccc1)C2)O
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.481g/mol
Monoisotopic Mass:
310.23g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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