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140468-95-7 | Oxireno[h]isoquinoline (9CI)
CAS No: 140468-95-7 Catalog No: AG001CHD MDL No:
Product Description
Catalog Number:
AG001CHD
Chemical Name:
Oxireno[h]isoquinoline (9CI)
CAS Number:
140468-95-7
Molecular Formula:
C9H5NO
Molecular Weight:
143.1421
IUPAC Name:
oxireno[2,3-h]isoquinoline
InChI:
InChI=1S/C9H5NO/c1-2-8-9(11-8)7-5-10-4-3-6(1)7/h1-5H
InChI Key:
JYBBUHNDXOIZAB-UHFFFAOYSA-N
SMILES:
c1ncc2c(c1)ccc1c2O1
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.145g/mol
Monoisotopic Mass:
143.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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