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231-00-5 | 2H-Benzo[a]quinolizine (8CI,9CI)
CAS No: 231-00-5 Catalog No: AG002M7L MDL No:
Product Description
Catalog Number:
AG002M7L
Chemical Name:
2H-Benzo[a]quinolizine (8CI,9CI)
CAS Number:
231-00-5
Molecular Formula:
C13H11N
Molecular Weight:
181.2331
IUPAC Name:
2H-benzo[a]quinolizine
InChI:
InChI=1S/C13H11N/c1-2-6-12-11(5-1)8-10-14-9-4-3-7-13(12)14/h1-2,4-10H,3H2
InChI Key:
NCFUIPADGNPPPP-UHFFFAOYSA-N
SMILES:
C1C=Cn2c(=C1)c1ccccc1cc2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.238g/mol
Monoisotopic Mass:
181.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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