Home Other Building Blocks Octahydroisobenzofuran

Octahydroisobenzofuran

CAS No.:
4743-54-8
Catalog Number:
AG01EMW5
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
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Product Description
Catalog Number:
AG01EMW5
Chemical Name:
Octahydroisobenzofuran
CAS Number:
4743-54-8
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
IUPAC Name:
1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
InChI:
InChI=1S/C8H14O/c1-2-4-8-6-9-5-7(8)3-1/h7-8H,1-6H2
InChI Key:
HGQBCKVFVUCIML-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)COC2
Properties
Complexity:
88.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
A general route toward the synthesis of the cladiellin skeleton utilizing a SmI2-mediated cyclization. The Journal of organic chemistry 20060203
Properties