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Home > Nitro Compounds > 67159-79-9
67159-79-9 | 3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-one
CAS No: 67159-79-9 Catalog No: AG01A1HZ MDL No:MFCD14705049
Product Description
Catalog Number:
AG01A1HZ
Chemical Name:
3,3-dimethyl-6-nitro-2,3-dihydro-1H-inden-1-one
CAS Number:
67159-79-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD14705049
IUPAC Name:
3,3-dimethyl-6-nitro-2H-inden-1-one
InChI:
InChI=1S/C11H11NO3/c1-11(2)6-10(13)8-5-7(12(14)15)3-4-9(8)11/h3-5H,6H2,1-2H3
InChI Key:
QPCPKZFKKMWXQT-UHFFFAOYSA-N
SMILES:
O=C1CC(c2c1cc(cc2)[N+](=O)[O-])(C)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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