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83842-64-2 | 2-PROPYL-4-QUINOLINOL
CAS No: 83842-64-2 Catalog No: AG00G9B6 MDL No:MFCD11505249
Product Description
Catalog Number:
AG00G9B6
Chemical Name:
2-PROPYL-4-QUINOLINOL
CAS Number:
83842-64-2
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD11505249
IUPAC Name:
2-propyl-1H-quinolin-4-one
InChI:
InChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChI Key:
ASGOXASWRFTXHV-UHFFFAOYSA-N
SMILES:
CCCc1cc(O)c2c(n1)cccc2
Properties
Complexity:
257
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:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| New pseudan (2-alkyl-4(1H)-quinolinone) alkaloids from Boronia ternata var. elongata and Boronia alulata (Rutaceae). | Natural product research 20070710 |
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