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Home > Nitro Compounds > 83427-68-3
83427-68-3 | o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxala te [French]
CAS No: 83427-68-3 Catalog No: AG00GK5E MDL No:
Product Description
Catalog Number:
AG00GK5E
Chemical Name:
o-Nitrobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxala te [French]
CAS Number:
83427-68-3
IUPAC Name:
5-[(2-nitrophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid
InChI:
InChI=1S/C14H14N2O3S.C2H2O4/c17-14-7-11-9-15(6-5-13(11)20-14)8-10-3-1-2-4-12(10)16(18)19;3-1(4)2(5)6/h1-4,7,13H,5-6,8-9H2;(H,3,4)(H,5,6)
InChI Key:
ZDJBQAJEBFTMAO-UHFFFAOYSA-N
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.068g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
380.371g/mol
Monoisotopic Mass:
380.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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