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823791-81-7 | Acetamide, N-[7-(4-azido-2-butenyl)-6,7-dihydro-6-oxo-1H-purin-2-yl]-
CAS No: 823791-81-7 Catalog No: AG004Y9G MDL No:
Product Description
Catalog Number:
AG004Y9G
Chemical Name:
Acetamide, N-[7-(4-azido-2-butenyl)-6,7-dihydro-6-oxo-1H-purin-2-yl]-
CAS Number:
823791-81-7
Molecular Formula:
C11H12N8O2
Molecular Weight:
288.2654
IUPAC Name:
N-[7-(4-azidobut-2-enyl)-6-oxo-1H-purin-2-yl]acetamide
InChI:
InChI=1S/C11H12N8O2/c1-7(20)15-11-16-9-8(10(21)17-11)19(6-13-9)5-3-2-4-14-18-12/h2-3,6H,4-5H2,1H3,(H2,15,16,17,20,21)
InChI Key:
IAPHNUYICPMTFE-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCC=CCn1cnc2c1c(=O)[nH]c(n2)NC(=O)C
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.271g/mol
Monoisotopic Mass:
288.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.5
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