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114153-81-0 | Carbonochloridic acid, 5-(1,6-dihydro-6-oxo-9H-purin-9-yl)pentyl ester
CAS No: 114153-81-0 Catalog No: AG000APC MDL No:
Product Description
Catalog Number:
AG000APC
Chemical Name:
Carbonochloridic acid, 5-(1,6-dihydro-6-oxo-9H-purin-9-yl)pentyl ester
CAS Number:
114153-81-0
Molecular Formula:
C11H13ClN4O3
Molecular Weight:
284.6989
IUPAC Name:
5-(6-oxo-1H-purin-9-yl)pentyl carbonochloridate
InChI:
InChI=1S/C11H13ClN4O3/c12-11(18)19-5-3-1-2-4-16-7-15-8-9(16)13-6-14-10(8)17/h6-7H,1-5H2,(H,13,14,17)
InChI Key:
KAUAOOJJKGMXNJ-UHFFFAOYSA-N
SMILES:
ClC(=O)OCCCCCn1cnc2c1nc[nH]c2=O
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.7g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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