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82315-12-6 | Chroman, hexahydro-2,4-dicyclohexyl-
CAS No: 82315-12-6 Catalog No: AG0055YW MDL No:
Product Description
Catalog Number:
AG0055YW
Chemical Name:
Chroman, hexahydro-2,4-dicyclohexyl-
CAS Number:
82315-12-6
Molecular Formula:
C21H36O
Molecular Weight:
304.5099
IUPAC Name:
2,4-dicyclohexyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
InChI:
InChI=1S/C21H36O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h16-21H,1-15H2
InChI Key:
LWPGOKHJYHINLT-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)C1OC2CCCCC2C(C1)C1CCCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.277g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.518g/mol
Monoisotopic Mass:
304.277g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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