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Home > Other Heterocycles > 880259-49-4
880259-49-4 | 7-Azabicyclo[4.1.0]hept-3-ene, 1-methyl-7-[(4-methylphenyl)sulfonyl]-
CAS No: 880259-49-4 Catalog No: AG004GGM MDL No:
Product Description
Catalog Number:
AG004GGM
Chemical Name:
7-Azabicyclo[4.1.0]hept-3-ene, 1-methyl-7-[(4-methylphenyl)sulfonyl]-
CAS Number:
880259-49-4
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
IUPAC Name:
1-methyl-7-(4-methylphenyl)sulfonyl-7-azabicyclo[4.1.0]hept-3-ene
InChI:
InChI=1S/C14H17NO2S/c1-11-6-8-12(9-7-11)18(16,17)15-13-5-3-4-10-14(13,15)2/h3-4,6-9,13H,5,10H2,1-2H3
InChI Key:
KFAIVAQBZMQMMC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C2C1(C)CC=CC2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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