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36052-25-2 | Methyl 5-aminonicotinate
CAS No: 36052-25-2 Catalog No: AG003RX3 MDL No:MFCD04038688
Product Description
Catalog Number:
AG003RX3
Chemical Name:
Methyl 5-aminonicotinate
CAS Number:
36052-25-2
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD04038688
IUPAC Name:
methyl 5-aminopyridine-3-carboxylate
InChI:
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,8H2,1H3
InChI Key:
MBGSRKHDEJNWED-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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