AG000KN2

1234616-77-3 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

AG000KN2

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CAS Number	1234616-77-3
Catalog Number	AG000KN2(AGN-PC-0WB003)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
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
MDL Number	MFCD17015971
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	O=C(C1=CNC2=NC=NC=C21)O
Synonyms	7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID, 1234616-77-3, SCHEMBL14406911, DTXSID40725543, KS-000003EE, MFCD17015971, ZINC83269554, AKOS022176913, GS-6378, PB33342, AJ-125846, ST1191237, CS-0050020, C-8320, Z2768769266,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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