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Home > Aldehydes > 111038-29-0
111038-29-0 | 7H-Purine-7-acetaldehyde,8-bromo-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS No: 111038-29-0 Catalog No: AG007TUJ MDL No:
Product Description
Catalog Number:
AG007TUJ
Chemical Name:
7H-Purine-7-acetaldehyde,8-bromo-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
CAS Number:
111038-29-0
Molecular Formula:
C9H9BrN4O3
Molecular Weight:
301.0968
IUPAC Name:
2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetaldehyde
InChI:
InChI=1S/C9H9BrN4O3/c1-12-6-5(7(16)13(2)9(12)17)14(3-4-15)8(10)11-6/h4H,3H2,1-2H3
InChI Key:
SSTGBMCLNGQXNF-UHFFFAOYSA-N
SMILES:
O=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.986g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.1g/mol
Monoisotopic Mass:
299.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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