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4363-93-3 | Quinoline-4-carbaldehyde
CAS No: 4363-93-3 Catalog No: AG003M0R MDL No:MFCD00006781
Product Description
Catalog Number:
AG003M0R
Chemical Name:
Quinoline-4-carbaldehyde
CAS Number:
4363-93-3
Molecular Formula:
C10H7NO
Molecular Weight:
157.1687
MDL Number:
MFCD00006781
IUPAC Name:
quinoline-4-carbaldehyde
InChI:
InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
InChI Key:
MGCGJBXTNWUHQE-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1cccc2
EC Number:
224-453-0
UNII:
3A0K4YX051
NSC Number:
1213
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.172g/mol
Monoisotopic Mass:
157.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Ethyl 1,6-dimethyl-2-oxo-4-(quinolin-4-yl)-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate. | Acta crystallographica. Section E, Structure reports online 20100701 |
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