AG001M5M

1499578-19-6 | 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-methyl-

AG001M5M

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CAS Number	1499578-19-6
Catalog Number	AG001M5M(AGN-PC-0WCKOP)
Chemical Name	7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-methyl-
IUPAC Name	7-methylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid
InChI	InChI=1S/C8H7N3O2/c1-11-3-6(8(12)13)5-2-9-4-10-7(5)11/h2-4H,1H3,(H,12,13)
InChI Key	FIWMPOOBKALXOP-UHFFFAOYSA-N
MDL Number	MFCD22370977
Molecular Formula	C8H7N3O2
Molecular Weight	177.1601
SMILES	CN1C2=C(C=NC=N2)C(C(O)=O)=C1
Synonyms	7-Methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 1499578-19-6, KS-000005RB, MFCD22370977, ZINC83272626, AKOS022969257, SB14063, AS-51616, CS-0049993, 7-methylpyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 7-methyl-,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.054g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	177.163g/mol
Monoisotopic Mass	177.054g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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