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Home > Nitro Compounds > 873412-28-3
873412-28-3 | 7-nitro-1,3,4,10-tetrahydroacridin-9(2H)-one
CAS No: 873412-28-3 Catalog No: AG00JH36 MDL No:MFCD08142251
Product Description
Catalog Number:
AG00JH36
Chemical Name:
7-nitro-1,3,4,10-tetrahydroacridin-9(2H)-one
CAS Number:
873412-28-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD08142251
IUPAC Name:
7-nitro-2,3,4,10-tetrahydro-1H-acridin-9-one
InChI:
InChI=1S/C13H12N2O3/c16-13-9-3-1-2-4-11(9)14-12-6-5-8(15(17)18)7-10(12)13/h5-7H,1-4H2,(H,14,16)
InChI Key:
BOULSGQSNUDFEB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)c1c([nH]2)CCCC1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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