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Home > Aldehydes > 113961-93-6
113961-93-6 | Acetaldehyde, 2-[(2-amino-9H-purin-9-yl)methoxy]-
CAS No: 113961-93-6 Catalog No: AG000A66 MDL No:
Product Description
Catalog Number:
AG000A66
Chemical Name:
Acetaldehyde, 2-[(2-amino-9H-purin-9-yl)methoxy]-
CAS Number:
113961-93-6
Molecular Formula:
C8H9N5O2
Molecular Weight:
207.1894
IUPAC Name:
2-[(2-aminopurin-9-yl)methoxy]acetaldehyde
InChI:
InChI=1S/C8H9N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h1,3-4H,2,5H2,(H2,9,10,12)
InChI Key:
IUVLAEDJEIMWKX-UHFFFAOYSA-N
SMILES:
O=CCOCn1cnc2c1nc(N)nc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.193g/mol
Monoisotopic Mass:
207.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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