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825633-95-2 | 1(6H)-Pyridazinepropanoic acid, 4-iodo-6-oxo-, methyl ester
CAS No: 825633-95-2 Catalog No: AG0053NX MDL No:
Product Description
Catalog Number:
AG0053NX
Chemical Name:
1(6H)-Pyridazinepropanoic acid, 4-iodo-6-oxo-, methyl ester
CAS Number:
825633-95-2
Molecular Formula:
C8H9IN2O3
Molecular Weight:
308.0731
IUPAC Name:
methyl 3-(4-iodo-6-oxopyridazin-1-yl)propanoate
InChI:
InChI=1S/C8H9IN2O3/c1-14-8(13)2-3-11-7(12)4-6(9)5-10-11/h4-5H,2-3H2,1H3
InChI Key:
YTTLHVWPUSUXCT-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1ncc(cc1=O)I
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.966g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.075g/mol
Monoisotopic Mass:
307.966g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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