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Home > Nitro Compounds > 96995-26-5
96995-26-5 | Azulene, 1,4-dimethyl-7-(1-methylethyl)-3-(2-nitroethenyl)-, (E)-
CAS No: 96995-26-5 Catalog No: AG005S9H MDL No:
Product Description
Catalog Number:
AG005S9H
Chemical Name:
Azulene, 1,4-dimethyl-7-(1-methylethyl)-3-(2-nitroethenyl)-, (E)-
CAS Number:
96995-26-5
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
1,4-dimethyl-3-(2-nitroethenyl)-7-propan-2-ylazulene
InChI:
InChI=1S/C17H19NO2/c1-11(2)14-6-5-12(3)17-15(7-8-18(19)20)9-13(4)16(17)10-14/h5-11H,1-4H3
InChI Key:
KWVHAVHMCGMCGT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1cc(c2c1c(C)ccc(c2)C(C)C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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