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40070-86-8 | 2-(Quinolin-4-yl)malonaldehyde
CAS No: 40070-86-8 Catalog No: AG0075UG MDL No:MFCD06801281
Product Description
Catalog Number:
AG0075UG
Chemical Name:
2-(Quinolin-4-yl)malonaldehyde
CAS Number:
40070-86-8
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD06801281
IUPAC Name:
2-quinolin-4-ylpropanedial
InChI:
InChI=1S/C12H9NO2/c14-7-9(8-15)10-5-6-13-12-4-2-1-3-11(10)12/h1-9H
InChI Key:
MSOVDGWTDZNQGX-UHFFFAOYSA-N
SMILES:
O=CC(c1ccnc2c1cccc2)C=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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