AG00028W

1005206-17-6 | 7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID

AG00028W

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CAS Number	1005206-17-6
Catalog Number	AG00028W(AGN-PC-0BSYTS)
Chemical Name	7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID
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
MDL Number	MFCD13193623
Molecular Formula	C7H5N3O2
Molecular Weight	163.1335
SMILES	O=C(C1=C2C(NC=C2)=NC=N1)O
Synonyms	7H-PYRROLO[2,3-D]PYRIMIDINE-4-CARBOXYLIC ACID, 1005206-17-6, SCHEMBL3491733, DTXSID90725513, CSVBAOOXLRAOLW-UHFFFAOYSA-N, 7182AC, MFCD13193623, ZINC72120002, AKOS015950089, AG-0710, MCULE-2673412308, PB19365, RP09008, KS-000002X5, DA-17408, AB0085164, AJ-119049, ST1191236, AM20070651, CS-0034294, FT-0702000, C-8008, J-519261, W-204376, Z2522870376, C7H5N3O2, 7H-Pyrrolo[2,3-d]pyrimidine-4-carboxylicacid,

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

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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