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79895-94-6 | Naphtho(1,2-c)furan, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aR,9aR)-
CAS No: 79895-94-6 Catalog No: AG005FA0 MDL No:
Product Description
Catalog Number:
AG005FA0
Chemical Name:
Naphtho(1,2-c)furan, 4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (5aR,9aR)-
CAS Number:
79895-94-6
Molecular Formula:
C15H22O
Molecular Weight:
218.3346
IUPAC Name:
(5aR,9aR)-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran
InChI:
InChI=1S/C15H22O/c1-14(2)7-4-8-15(3)12-10-16-9-11(12)5-6-13(14)15/h9-10,13H,4-8H2,1-3H3/t13-,15+/m1/s1
InChI Key:
MPZXOTRFHATPCS-HIFRSBDPSA-N
SMILES:
CC1(C)CCC[C@@]2([C@@H]1CCc1c2coc1)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.167g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.34g/mol
Monoisotopic Mass:
218.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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