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79035-09-9 | 7-Methyl-2-(methylsulfonyl)-1,2,8,8a-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-4(5H)-one
CAS No: 79035-09-9 Catalog No: AG00GR3Q MDL No:
Product Description
Catalog Number:
AG00GR3Q
Chemical Name:
7-Methyl-2-(methylsulfonyl)-1,2,8,8a-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-4(5H)-one
CAS Number:
79035-09-9
IUPAC Name:
3-methyl-10-methylsulfonyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
InChI:
InChI=1S/C13H14N2O3S/c1-7-5-14-12-9(16)3-10-13(11(7)12)4-8(13)6-15(10)19(2,17)18/h3,5,8,14H,4,6H2,1-2H3
InChI Key:
KYNKYZUQDFXAGD-UHFFFAOYSA-N
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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