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1060815-89-5 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CAS No: 1060815-89-5 Catalog No: AG007VWN MDL No:MFCD13189361
Product Description
Catalog Number:
AG007VWN
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CAS Number:
1060815-89-5
Molecular Formula:
C7H5N3O
Molecular Weight:
147.1341
MDL Number:
MFCD13189361
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C7H5N3O/c11-3-5-1-9-7-6(5)2-8-4-10-7/h1-4H,(H,8,9,10)
InChI Key:
QMGYOQXVUMVWGT-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cncn2
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.137g/mol
Monoisotopic Mass:
147.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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