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77923-82-1 | Hexahydro-2,5,5-trimethyl-2H-2,4a-methanonaphthalen-1(5H)-one
CAS No: 77923-82-1 Catalog No: AG0056IS MDL No:
Product Description
Catalog Number:
AG0056IS
Chemical Name:
Hexahydro-2,5,5-trimethyl-2H-2,4a-methanonaphthalen-1(5H)-one
CAS Number:
77923-82-1
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
2,2,6-trimethyl-octahydro-1H-2,4a-methanonapthalen-8-one
InChI:
InChI=1S/C14H22O/c1-12(2)6-4-5-10-11(15)13(3)7-8-14(10,12)9-13/h10H,4-9H2,1-3H3
InChI Key:
UBSJUMZOLIKMIE-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC(C32CC1(C)CC3)(C)C
EC Number:
278-794-5
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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