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Home > Nitro Compounds > 89302-80-7
89302-80-7 | Benzene, 1-nitro-3-(1,2-propadienyl)-
CAS No: 89302-80-7 Catalog No: AG003YN7 MDL No:
Product Description
Catalog Number:
AG003YN7
Chemical Name:
Benzene, 1-nitro-3-(1,2-propadienyl)-
CAS Number:
89302-80-7
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
1-nitro-3-propa-1,2-dienylbenzene
InChI:
InChI=1S/C9H7NO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3-7H,1H2
InChI Key:
HWDPQURHKOCSJL-UHFFFAOYSA-N
SMILES:
C=C=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
213
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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