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23077-06-7 | 5H-2,6-Methano-2-benzazocin-5-one, 1,3,4,6-tetrahydro-
CAS No: 23077-06-7 Catalog No: AG002M5E MDL No:
Product Description
Catalog Number:
AG002M5E
Chemical Name:
5H-2,6-Methano-2-benzazocin-5-one, 1,3,4,6-tetrahydro-
CAS Number:
23077-06-7
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
9-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-one
InChI:
InChI=1S/C12H13NO/c14-12-5-6-13-7-9-3-1-2-4-10(9)11(12)8-13/h1-4,11H,5-8H2
InChI Key:
AKMJYHUKKZMYEH-UHFFFAOYSA-N
SMILES:
O=C1CCN2CC1c1ccccc1C2
NSC Number:
623068
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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