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81758-27-2 | 1,4-acridinedione, 5-amino-2,3-bis(1-aziridinyl)-6-methoxy-
CAS No: 81758-27-2 Catalog No: AG00574O MDL No:
Product Description
Catalog Number:
AG00574O
Chemical Name:
1,4-acridinedione, 5-amino-2,3-bis(1-aziridinyl)-6-methoxy-
CAS Number:
81758-27-2
Molecular Formula:
C18H16N4O3
Molecular Weight:
336.3446
IUPAC Name:
4-(2-hydroxypropyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
InChI:
InChI=1S/C12H15NO3/c1-6(14)5-13-11(15)9-7-2-3-8(4-7)10(9)12(13)16/h2-3,6-10,14H,4-5H2,1H3
InChI Key:
RIJZYWXQEGNBBZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1N)nc1c(c2)C(=O)C(=C(C1=O)N1CC1)N1CC1
NSC Number:
71586
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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