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229-71-0 | Benz[h]isoquinoline
CAS No: 229-71-0 Catalog No: AG002LDY MDL No:
Product Description
Catalog Number:
AG002LDY
Chemical Name:
Benz[h]isoquinoline
CAS Number:
229-71-0
Molecular Formula:
C13H9N
Molecular Weight:
179.2173
IUPAC Name:
benzo[h]isoquinoline
InChI:
InChI=1S/C13H9N/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-9H
InChI Key:
FZICDBOJOMQACG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)ccc1c2cncc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.222g/mol
Monoisotopic Mass:
179.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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