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Home > Nitro Compounds > 89097-51-8
89097-51-8 | 1,3-Benzodioxol-4-ol, 2,2-dimethyl-5,7-dinitro-
CAS No: 89097-51-8 Catalog No: AG003YKF MDL No:
Product Description
Catalog Number:
AG003YKF
Chemical Name:
1,3-Benzodioxol-4-ol, 2,2-dimethyl-5,7-dinitro-
CAS Number:
89097-51-8
Molecular Formula:
C9H8N2O7
Molecular Weight:
256.1690
IUPAC Name:
2,2-dimethyl-5,7-dinitro-1,3-benzodioxol-4-ol
InChI:
InChI=1S/C9H8N2O7/c1-9(2)17-7-5(11(15)16)3-4(10(13)14)6(12)8(7)18-9/h3,12H,1-2H3
InChI Key:
UMIBGARWISAMFY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c2c1OC(O2)(C)C)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.17g/mol
Monoisotopic Mass:
256.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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