AG0091TO

1029144-15-7 | 5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid

AG0091TO

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CAS Number	1029144-15-7
Catalog Number	AG0091TO(AGN-PC-0WNGQ8)
Chemical Name	5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
IUPAC Name	5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid
InChI	InChI=1S/C7H5N3O2/c11-7(12)6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H,11,12)
InChI Key	DMVIOVBHUPSACZ-UHFFFAOYSA-N
MDL Number	MFCD17012972
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	O=C(C1=C(NC=C2)C2=NC=N1)O
Synonyms	5H-pyrrolo[3,2-d]pyrimidine-4-carboxylic acid, 1029144-15-7, SCHEMBL1706244, SCHEMBL14074733, ZINC89223711, KS-0000056O, AS-53791, CS-0050463,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.038176g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.13g/mol
Monoisotopic Mass	163.038176g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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