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231-38-9 | 4aH-Benzo[c]quinolizine
CAS No: 231-38-9 Catalog No: AG002M7F MDL No:
Product Description
Catalog Number:
AG002M7F
Chemical Name:
4aH-Benzo[c]quinolizine
CAS Number:
231-38-9
Molecular Formula:
C13H11N
Molecular Weight:
181.2331
IUPAC Name:
4aH-benzo[c]quinolizine
InChI:
InChI=1S/C13H11N/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13/h1-10,12H
InChI Key:
PMWCNGLQITUBDE-UHFFFAOYSA-N
SMILES:
C1=CC2N(C=C1)c1ccccc1C=C2
Properties
Complexity:
300
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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