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Home > Nitro Compounds > 76129-13-0
76129-13-0 | 4-Nitro-N-[(S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]benzamide
CAS No: 76129-13-0 Catalog No: AG00GGAH MDL No:
Product Description
Catalog Number:
AG00GGAH
Chemical Name:
4-Nitro-N-[(S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]benzamide
CAS Number:
76129-13-0
IUPAC Name:
4-nitro-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide
InChI:
InChI=1S/C27H26N2O8/c1-34-22-12-10-18-19(14-21(22)30)20(28-27(31)15-5-8-17(9-6-15)29(32)33)11-7-16-13-23(35-2)25(36-3)26(37-4)24(16)18/h5-6,8-10,12-14,20H,7,11H2,1-4H3,(H,28,31)/t20-/m0/s1
InChI Key:
CRXFDHISRJTSDH-FQEVSTJZSA-N
NSC Number:
309696
Properties
Complexity:
975
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
506.169g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.511g/mol
Monoisotopic Mass:
506.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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