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Home > Nitro Compounds > 817642-36-7
817642-36-7 | Bicyclo[4.2.0]octa-2,4-diene, 1,3,5,7,7-pentamethyl-8-(4-nitrophenyl)-
CAS No: 817642-36-7 Catalog No: AG0050RD MDL No:
Product Description
Catalog Number:
AG0050RD
Chemical Name:
Bicyclo[4.2.0]octa-2,4-diene, 1,3,5,7,7-pentamethyl-8-(4-nitrophenyl)-
CAS Number:
817642-36-7
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
1,3,5,7,7-pentamethyl-8-(4-nitrophenyl)bicyclo[4.2.0]octa-2,4-diene
InChI:
InChI=1S/C19H23NO2/c1-12-10-13(2)16-18(3,4)17(19(16,5)11-12)14-6-8-15(9-7-14)20(21)22/h6-11,16-17H,1-5H3
InChI Key:
JJYMFHKUYYJYPE-UHFFFAOYSA-N
SMILES:
CC1=CC2(C(C(=C1)C)C(C2c1ccc(cc1)[N+](=O)[O-])(C)C)C
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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