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824968-25-4 | 1H-Pyrazolo[4,3-c]isoquinoline, 5-(methoxymethyl)-3-methyl-
CAS No: 824968-25-4 Catalog No: AG008J7F MDL No:
Product Description
Catalog Number:
AG008J7F
Chemical Name:
1H-Pyrazolo[4,3-c]isoquinoline, 5-(methoxymethyl)-3-methyl-
CAS Number:
824968-25-4
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
5-(methoxymethyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
InChI:
InChI=1S/C13H13N3O/c1-8-12-13(16-15-8)10-6-4-3-5-9(10)11(14-12)7-17-2/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
MOXVJLJJIASAIH-UHFFFAOYSA-N
SMILES:
COCc1nc2c(C)n[nH]c2c2c1cccc2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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