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Home > Nitro Compounds > 124831-24-9
124831-24-9 | Benzene, 1-[(1Z)-3-methyl-1,3-butadien-1-yl]-4-nitro-
CAS No: 124831-24-9 Catalog No: AG000MSG MDL No:
Product Description
Catalog Number:
AG000MSG
Chemical Name:
Benzene, 1-[(1Z)-3-methyl-1,3-butadien-1-yl]-4-nitro-
CAS Number:
124831-24-9
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
1-(3-methylbuta-1,3-dienyl)-4-nitrobenzene
InChI:
InChI=1S/C11H11NO2/c1-9(2)3-4-10-5-7-11(8-6-10)12(13)14/h3-8H,1H2,2H3
InChI Key:
DOGGROQPDVVIKH-UHFFFAOYSA-N
SMILES:
CC(=C)/C=C\c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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