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6498-02-8 | Ethyl 1,2,4-triazine-3-carboxylate
CAS No: 6498-02-8 Catalog No: AG0039YU MDL No:
Product Description
Catalog Number:
AG0039YU
Chemical Name:
Ethyl 1,2,4-triazine-3-carboxylate
CAS Number:
6498-02-8
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
IUPAC Name:
ethyl 1,2,4-triazine-3-carboxylate
InChI:
InChI=1S/C6H7N3O2/c1-2-11-6(10)5-7-3-4-8-9-5/h3-4H,2H2,1H3
InChI Key:
BSPOWIFCNQWLIQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccnn1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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