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87052-76-4 | 4-Pyridinecarboxylic acid, 3-(diazoacetyl)-, methyl ester
CAS No: 87052-76-4 Catalog No: AG004GIW MDL No:
Product Description
Catalog Number:
AG004GIW
Chemical Name:
4-Pyridinecarboxylic acid, 3-(diazoacetyl)-, methyl ester
CAS Number:
87052-76-4
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
methyl 3-(2-diazoacetyl)pyridine-4-carboxylate
InChI:
InChI=1S/C9H7N3O3/c1-15-9(14)6-2-3-11-4-7(6)8(13)5-12-10/h2-5H,1H3
InChI Key:
BAFCABVJCQUKBR-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)c1cnccc1C(=O)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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