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80155-82-4 | 1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5h)-one
CAS No: 80155-82-4 Catalog No: AG005CKA MDL No:
Product Description
Catalog Number:
AG005CKA
Chemical Name:
1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-6,7-dihydrobenzo[a]heptalen-9(5h)-one
CAS Number:
80155-82-4
Molecular Formula:
C21H25NO4S
Molecular Weight:
387.4925
IUPAC Name:
2-[bis(2-hydrazinyl-2-oxoethyl)amino]acetohydrazide
InChI:
InChI=1S/C6H15N7O3/c7-10-4(14)1-13(2-5(15)11-8)3-6(16)12-9/h1-3,7-9H2,(H,10,14)(H,11,15)(H,12,16)
InChI Key:
KGSXKXWCVWJCIW-UHFFFAOYSA-N
SMILES:
CNC1CCc2c(c3c1cc(=O)c(cc3)SC)c(OC)c(c(c2)OC)OC
NSC Number:
351359
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.124g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
233.232g/mol
Monoisotopic Mass:
233.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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