Benzo[h]quinoline

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Catalog Number
ACM230273-1
Product Name
Benzo[h]quinoline
Structure
Structure
CAS
230-27-3
Category
Quinolines
Synonyms
1-Naphthoquinoline;7,8-Benzoquinoline
IUPAC Name
benzo[h]quinoline
Molecular Weight
179.22
Molecular Formula
C13H9N
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2N=CC=C3
InChI
WZJYKHNJTSNBHV-UHFFFAOYSA-N
InChI Key
InChI=1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H
Boiling Point
339.0 °C
Melting Point
48-50 °C-lit
Appearance
Dark yellow crystalline
Complexity
201
Covalently-Bonded Unit Count
1
EC Number
205-937-0
Exact Mass
179.073499g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
14
Isomeric SMILES
C1=CC=C2C(=C1)C=CC3=C2N=CC=C3
LogP
3.43 (LogP)
Monoisotopic Mass
179.073499g/mol
NSC Number
16033
Rotatable Bond Count
0
UNII
8KWJ7WT6Y7
Vapor Pressure
2.18e-04 mmHg
XLogP3
3.4
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