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173104-57-9 | Naphthalene, 1,2,3,4,4a,7,8,8a-octahydro-1,4a,6-trimethyl-, (1S,4aS,8aS)-
CAS No: 173104-57-9 Catalog No: AG001YM4 MDL No:
Product Description
Catalog Number:
AG001YM4
Chemical Name:
Naphthalene, 1,2,3,4,4a,7,8,8a-octahydro-1,4a,6-trimethyl-, (1S,4aS,8aS)-
CAS Number:
173104-57-9
Molecular Formula:
C13H22
Molecular Weight:
178.3138
IUPAC Name:
4,7,8a-trimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
InChI:
InChI=1S/C13H22/c1-10-6-7-12-11(2)5-4-8-13(12,3)9-10/h9,11-12H,4-8H2,1-3H3
InChI Key:
AWRODFUWOUCXQQ-UHFFFAOYSA-N
SMILES:
CC1=C[C@@]2([C@@H](CC1)[C@@H](C)CCC2)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.172g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.319g/mol
Monoisotopic Mass:
178.172g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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