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Home > Nitro Compounds > 113578-08-8
113578-08-8 | 1,3,5-Hexatriene, 1-nitroso-, (E,E)- (9CI)
CAS No: 113578-08-8 Catalog No: AG000911 MDL No:
Product Description
Catalog Number:
AG000911
Chemical Name:
1,3,5-Hexatriene, 1-nitroso-, (E,E)- (9CI)
CAS Number:
113578-08-8
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
1-nitrosohexa-1,3,5-triene
InChI:
InChI=1S/C6H7NO/c1-2-3-4-5-6-7-8/h2-6H,1H2
InChI Key:
FSTGMRRTIUZIFC-UHFFFAOYSA-N
SMILES:
C=C/C=C/C=C/N=O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.5
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