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1147014-44-5 | 7H-Pyrrolo[2,3-d]pyriMidine, 4-ethynyl-
CAS No: 1147014-44-5 Catalog No: AG000F2V MDL No:
Product Description
Catalog Number:
AG000F2V
Chemical Name:
7H-Pyrrolo[2,3-d]pyriMidine, 4-ethynyl-
CAS Number:
1147014-44-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
IUPAC Name:
4-ethynyl-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H5N3/c1-2-7-6-3-4-9-8(6)11-5-10-7/h1,3-5H,(H,9,10,11)
InChI Key:
KHDQHVJZVIPHLS-UHFFFAOYSA-N
SMILES:
C#Cc1ncnc2c1cc[nH]2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.149g/mol
Monoisotopic Mass:
143.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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