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Home > Nitro Compounds > 1260777-32-9
1260777-32-9 | 1(2H)-Isoquinolinone, 3,4,4a,8a-tetrahydro-7-nitro-
CAS No: 1260777-32-9 Catalog No: AG000R72 MDL No:
Product Description
Catalog Number:
AG000R72
Chemical Name:
1(2H)-Isoquinolinone, 3,4,4a,8a-tetrahydro-7-nitro-
CAS Number:
1260777-32-9
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
7-nitro-3,4,4a,8a-tetrahydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H10N2O3/c12-9-8-5-7(11(13)14)2-1-6(8)3-4-10-9/h1-2,5-6,8H,3-4H2,(H,10,12)
InChI Key:
DMTMLBCHALXLBD-UHFFFAOYSA-N
SMILES:
O=C1NCCC2C1C=C(C=C2)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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