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Home > Nitro Compounds > 76024-91-4
76024-91-4 | Benzene, (4-nitro-1-butenyl)-
CAS No: 76024-91-4 Catalog No: AG00ICOU MDL No:
Product Description
Catalog Number:
AG00ICOU
Chemical Name:
Benzene, (4-nitro-1-butenyl)-
CAS Number:
76024-91-4
IUPAC Name:
[(E)-4-nitrobut-1-enyl]benzene
InChI:
InChI=1S/C10H11NO2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-4,6-8H,5,9H2/b8-4+
InChI Key:
LAWOSLZMYOCMOE-XBXARRHUSA-N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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