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73100-87-5 | 7H-Purine-7-acetaldehyde,2-amino-1,6-dihydro-6-oxo-
CAS No: 73100-87-5 Catalog No: AG008QK0 MDL No:
Product Description
Catalog Number:
AG008QK0
Chemical Name:
7H-Purine-7-acetaldehyde,2-amino-1,6-dihydro-6-oxo-
CAS Number:
73100-87-5
Molecular Formula:
C7H7N5O2
Molecular Weight:
193.1628
IUPAC Name:
2-(2-amino-6-oxo-1H-purin-7-yl)acetaldehyde
InChI:
InChI=1S/C7H7N5O2/c8-7-10-5-4(6(14)11-7)12(1-2-13)3-9-5/h2-3H,1H2,(H3,8,10,11,14)
InChI Key:
GWIQUBKMOOZLKY-UHFFFAOYSA-N
SMILES:
O=CCn1cnc2c1c(=O)[nH]c(n2)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.166g/mol
Monoisotopic Mass:
193.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| A new LC-MS/MS method for the quantification of endogenous and vinyl chloride-induced 7-(2-Oxoethyl)guanine in sprague-dawley rats. | Chemical research in toxicology 20120220 |
| Plastics and carcinogenesis: The example of vinyl chloride. | Journal of carcinogenesis 20120101 |
| Chemical reactivity as a tool to study carcinogenicity: reaction between chloroethylene oxide and guanine. | The Journal of organic chemistry 20060526 |
| Vinyl chloride-a classical industrial toxicant of new interest. | Critical reviews in toxicology 20050101 |
| Differential induction of N(2),3-ethenoguanine in rat brain and liver after exposure to vinyl chloride. | Cancer research 20020915 |
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