Home Aldehydes 6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

CAS No.:
2138159-60-9
Catalog Number:
AG01EMBT
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
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Product Description
Catalog Number:
AG01EMBT
Chemical Name:
6-methyl-4-oxo-3H,4H,5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
CAS Number:
2138159-60-9
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD31457153
IUPAC Name:
6-methylidene-4-oxo-3H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde
InChI:
InChI=1S/C8H5N3O2/c1-4-5(2-12)6-7(11-4)8(13)10-3-9-6/h2-3H,1H2,(H,9,10,13)
InChI Key:
KZDCNEFDJALLDU-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)[nH]c2c1nc[nH]c2=O
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.147g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  
Properties