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Home > Nitro Compounds > 819871-84-6

819871-84-6

819871-84-6 | 1H-Indene, 1-(1-methylethylidene)-6-nitro-

CAS No: 819871-84-6 Catalog No: AG005ET2 MDL No:

Product Description

Catalog Number:
AG005ET2
Chemical Name:
1H-Indene, 1-(1-methylethylidene)-6-nitro-
CAS Number:
819871-84-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
6-nitro-1-propan-2-ylideneindene
InChI:
InChI=1S/C12H11NO2/c1-8(2)11-6-4-9-3-5-10(13(14)15)7-12(9)11/h3-7H,1-2H3
InChI Key:
PCQSTVHPWCITLT-UHFFFAOYSA-N
SMILES:
CC(=C1C=Cc2c1cc(cc2)[N+](=O)[O-])C

Properties

Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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