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73459-97-9 | methyl 3-methylisoquinoline-5-carboxylate
CAS No: 73459-97-9 Catalog No: AG01FKX2 MDL No:
Product Description
Catalog Number:
AG01FKX2
Chemical Name:
methyl 3-methylisoquinoline-5-carboxylate
CAS Number:
73459-97-9
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
methyl 3-methylisoquinoline-5-carboxylate
InChI:
InChI=1S/C12H11NO2/c1-8-6-11-9(7-13-8)4-3-5-10(11)12(14)15-2/h3-7H,1-2H3
InChI Key:
YBVZAXUFVAFLFF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1cc(C)nc2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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