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1254-17-7 | Acetamide, N-[1-(acetyloxy)-9-[(acetyloxy)methyl]-2,3,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo[1,2-a]indol-2-yl]-
CAS No: 1254-17-7 Catalog No: AG000NMK MDL No:
Product Description
Catalog Number:
AG000NMK
Chemical Name:
Acetamide, N-[1-(acetyloxy)-9-[(acetyloxy)methyl]-2,3,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1H-pyrrolo[1,2-a]indol-2-yl]-
CAS Number:
1254-17-7
Molecular Formula:
C20H22N2O8
Molecular Weight:
418.3973
IUPAC Name:
(2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate
InChI:
InChI=1S/C20H22N2O8/c1-8-17(26)16-14(18(27)19(8)28-5)12(7-29-10(3)24)15-20(30-11(4)25)13(6-22(15)16)21-9(2)23/h13,20H,6-7H2,1-5H3,(H,21,23)
InChI Key:
RBSVQLFABAKECO-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)C)c1n2CC(C1OC(=O)C)NC(=O)C
NSC Number:
134718
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.138g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
418.402g/mol
Monoisotopic Mass:
418.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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