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1016241-64-7,MFCD11518909
Catalog No.:AA0004X4
1016241-64-7 | 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
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Price(USD)
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100mg
95%
in stock  
$79.00   $55.00
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  • Technical Information
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Technical Information
Catalog Number:
AA0004X4
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
CAS Number:
1016241-64-7
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD11518909
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-1-4-2-8-3-9-6(4)10-5/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:
HHZKYTGSMOMGOQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncnc2
Properties
Computed Properties
 
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID 
1016241-64-7 
ANW-49234 
FCH894324 
MFCD11518909 
ZINC35269905 
AKOS006325573 
RP02291 
SB10428 
AJ-90941 
AN-25987 
AS-50801 
AK-27601 
BR-27601 
OR317014 
AB0034414 
AX8158807 
DB-058622 
TR-000409 
7h-pyrrolo-[2,3-d]pyrimidine-6-carboxylic 
AM20070668 
CS-0050019 
FT-0648321 
W-204418 
X8567 
S-7027 
241P647 
A800422 
J-519263 
101624-16-2 
C7H5N3O2 
7h-pyrrolo(2,3-d)pyrimidine-6-carboxylic acid 
PubChem15987 
SCHEMBL2995033 
CTK4A0028 
DTXSID00672201 
KS-000003JE 
Literature
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