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2320-75-4 | 5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-amino-, ethyl ester
CAS No: 2320-75-4 Catalog No: AG002MI4 MDL No:
Product Description
Catalog Number:
AG002MI4
Chemical Name:
5H-Pyrrolo[3,2-d]pyrimidine-7-carboxylic acid, 4-amino-, ethyl ester
CAS Number:
2320-75-4
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
ethyl 4-amino-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C9H10N4O2/c1-2-15-9(14)5-3-11-7-6(5)12-4-13-8(7)10/h3-4,11H,2H2,1H3,(H2,10,12,13)
InChI Key:
MPDVVGKODKOZCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c2c1ncnc2N
NSC Number:
76287
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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