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1005206-17-6,MFCD13193623
Catalog No.:AA000264
1005206-17-6 | 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$115.00   $80.00
- +
1g
95%
in stock  
$286.00   $200.00
- +
5g
95%
in stock  
$1,286.00   $900.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000264
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
CAS Number:
1005206-17-6
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD13193623
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:
CSVBAOOXLRAOLW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc2c1cc[nH]2
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-4-CARBOXYLIC ACID 
1005206-17-6 
MCULE-2673412308 
PB19365 
RP09008 
KS-000002X5 
DA-17408 
AB0085164 
AJ-119049 
ST1191236 
AM20070651 
CS-0034294 
SCHEMBL3491733 
FT-0702000 
C-8008 
J-519261 
W-204376 
Z2522870376 
C7H5N3O2 
7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylicacid 
DTXSID90725513 
CSVBAOOXLRAOLW-UHFFFAOYSA-N 
7182AC 
MFCD13193623 
ZINC72120002 
AKOS015950089 
AG-0710 
Literature
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