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101126-30-1 | 1,4-Methanonaphthalene, 1,2,3,4-tetrahydro-5,6-dimethyl-
CAS No: 101126-30-1 Catalog No: AG0003SY MDL No:
Product Description
Catalog Number:
AG0003SY
Chemical Name:
1,4-Methanonaphthalene, 1,2,3,4-tetrahydro-5,6-dimethyl-
CAS Number:
101126-30-1
Molecular Formula:
C13H16
Molecular Weight:
172.2661
IUPAC Name:
3,4-dimethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
InChI:
InChI=1S/C13H16/c1-8-3-6-12-10-4-5-11(7-10)13(12)9(8)2/h3,6,10-11H,4-5,7H2,1-2H3
InChI Key:
RJUTZFRMAJOIJT-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1C)C1CCC2C1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.125g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.271g/mol
Monoisotopic Mass:
172.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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