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55279-30-6 | 3-Amino-Isonicotinic Acid Methyl Ester
CAS No: 55279-30-6 Catalog No: AG0033LF MDL No:MFCD02082535
Product Description
Catalog Number:
AG0033LF
Chemical Name:
3-Amino-Isonicotinic Acid Methyl Ester
CAS Number:
55279-30-6
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD02082535
IUPAC Name:
methyl 3-aminopyridine-4-carboxylate
InChI:
InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
InChI Key:
XLQIGLBALJNHKR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccncc1N
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:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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