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88786-38-3 | Isoxazolo[5,4-c]isoquinoline, 6,7,8,9-tetrahydro-1-methyl-5-propoxy-
CAS No: 88786-38-3 Catalog No: AG008B47 MDL No:
Product Description
Catalog Number:
AG008B47
Chemical Name:
Isoxazolo[5,4-c]isoquinoline, 6,7,8,9-tetrahydro-1-methyl-5-propoxy-
CAS Number:
88786-38-3
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
1-methyl-5-propoxy-6,7,8,9-tetrahydro-[1,2]oxazolo[5,4-c]isoquinoline
InChI:
InChI=1S/C14H18N2O2/c1-3-8-17-13-11-7-5-4-6-10(11)12-9(2)16-18-14(12)15-13/h3-8H2,1-2H3
InChI Key:
YEOLGFHMDUKKFK-UHFFFAOYSA-N
SMILES:
CCCOc1nc2onc(c2c2c1CCCC2)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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