Home Carboxys methyl 4-formylquinoline-8-carboxylate

methyl 4-formylquinoline-8-carboxylate

CAS No.:
2059938-40-6
Catalog Number:
AG01C0JX
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
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Product Description
Catalog Number:
AG01C0JX
Chemical Name:
methyl 4-formylquinoline-8-carboxylate
CAS Number:
2059938-40-6
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD30535681
IUPAC Name:
methyl 4-formylquinoline-8-carboxylate
InChI:
InChI=1S/C12H9NO3/c1-16-12(15)10-4-2-3-9-8(7-14)5-6-13-11(9)10/h2-7H,1H3
InChI Key:
PVSREZRTSGTDRM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nccc2C=O
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties