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1234616-77-3 | 7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CAS No: 1234616-77-3 Catalog No: AG000KN2 MDL No:MFCD17015971
Product Description
Catalog Number:
AG000KN2
Chemical Name:
7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CAS Number:
1234616-77-3
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD17015971
IUPAC Name:
7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:
PSULVWVAFBHGQB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cncn2
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:
0.2
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