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78224-47-2 | Methyl 8-methoxyquinoline-2-carboxylate
CAS No: 78224-47-2 Catalog No: AG005CHL MDL No:MFCD19286700
Product Description
Catalog Number:
AG005CHL
Chemical Name:
Methyl 8-methoxyquinoline-2-carboxylate
CAS Number:
78224-47-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD19286700
IUPAC Name:
methyl 8-methoxyquinoline-2-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-15-10-5-3-4-8-6-7-9(12(14)16-2)13-11(8)10/h3-7H,1-2H3
InChI Key:
YNRMQTUOOLBRHW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)c(OC)ccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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