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Home > Other Heterocycles > 7252-19-9
7252-19-9 | 3-methyl-3-azabicyclo[6.4.0]dodeca-8,10,12-triene
CAS No: 7252-19-9 Catalog No: AG005GJW MDL No:
Product Description
Catalog Number:
AG005GJW
Chemical Name:
3-methyl-3-azabicyclo[6.4.0]dodeca-8,10,12-triene
CAS Number:
7252-19-9
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
2-methyl-3,4,5,6-tetrahydro-1H-2-benzazocine
InChI:
InChI=1S/C12H17N/c1-13-9-5-4-7-11-6-2-3-8-12(11)10-13/h2-3,6,8H,4-5,7,9-10H2,1H3
InChI Key:
RATORJMYQGPUIE-UHFFFAOYSA-N
SMILES:
CN1CCCCc2c(C1)cccc2
NSC Number:
68893
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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