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595-86-8 | 1,1,1-trinitroethane
CAS No: 595-86-8 Catalog No: AG00EZKW MDL No:
Product Description
Catalog Number:
AG00EZKW
Chemical Name:
1,1,1-trinitroethane
CAS Number:
595-86-8
IUPAC Name:
1,1,1-trinitroethane
InChI:
InChI=1S/C2H3N3O6/c1-2(3(6)7,4(8)9)5(10)11/h1H3
InChI Key:
HSYGKEBJFKQOLE-UHFFFAOYSA-N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.061g/mol
Monoisotopic Mass:
165.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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