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Home > Nitro Compounds > 67083-39-0
67083-39-0 | Benzene, 1-nitroso-4-propyl-
CAS No: 67083-39-0 Catalog No: AG005R8R MDL No:
Product Description
Catalog Number:
AG005R8R
Chemical Name:
Benzene, 1-nitroso-4-propyl-
CAS Number:
67083-39-0
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
IUPAC Name:
1-nitroso-4-propylbenzene
InChI:
InChI=1S/C9H11NO/c1-2-3-8-4-6-9(10-11)7-5-8/h4-7H,2-3H2,1H3
InChI Key:
XHNUYMNRCLHBFU-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)N=O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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