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89422-06-0 | 4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-2,3,5-trimethyl-
CAS No: 89422-06-0 Catalog No: AG0044SY MDL No:
Product Description
Catalog Number:
AG0044SY
Chemical Name:
4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-2,3,5-trimethyl-
CAS Number:
89422-06-0
Molecular Formula:
C13H20
Molecular Weight:
176.2979
IUPAC Name:
3,4,9-trimethyltricyclo[5.2.1.02,6]dec-3-ene
InChI:
InChI=1S/C13H20/c1-7-5-12-10-4-8(2)11(6-10)13(12)9(7)3/h8,10-13H,4-6H2,1-3H3
InChI Key:
BEUPAOFVMYBHNG-UHFFFAOYSA-N
SMILES:
CC1CC2CC1C1C2CC(=C1C)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.303g/mol
Monoisotopic Mass:
176.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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