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91702-86-2 | Methyl 5-(Methylamino)nicotinate
CAS No: 91702-86-2 Catalog No: AG003RWR MDL No:MFCD18256217
Product Description
Catalog Number:
AG003RWR
Chemical Name:
Methyl 5-(Methylamino)nicotinate
CAS Number:
91702-86-2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD18256217
IUPAC Name:
methyl 5-(methylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C8H10N2O2/c1-9-7-3-6(4-10-5-7)8(11)12-2/h3-5,9H,1-2H3
InChI Key:
XIYNYAIMEJCRCU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)NC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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