AG002QIC

251102-27-9 | Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid

AG002QIC

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CAS Number	251102-27-9
Catalog Number	AG002QIC(AGN-PC-0NHVON)
Chemical Name	Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid
IUPAC Name	pyrrolo[1,2-c]pyrimidine-3-carboxylic acid
InChI	InChI=1S/C8H6N2O2/c11-8(12)7-4-6-2-1-3-10(6)5-9-7/h1-5H,(H,11,12)
InChI Key	OAZGQWMFODAEEV-UHFFFAOYSA-N
MDL Number	MFCD09878579
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	O=C(C1=CC2=CC=CN2C=N1)O
Synonyms	Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid, 251102-27-9, 1H-PYRROLO[1,2-F]PYRIMIDINE-3-CARBOXYLIC ACID, W-206927, pyrrolo-1,2-C-pyrimidine-3-carboxylic acid, PubChem17868, Pyrrolo[1,2-c]pyrimidine-3-carboxylicacid, SCHEMBL1758975, CTK1A0422, DTXSID40478209, OAZGQWMFODAEEV-UHFFFAOYSA-N, KS-00001AD3, ZINC8729858, ANW-48358, FCH836270, MFCD09878579, SC1421, AKOS006280994, RP09280, ACM251102279, AJ-58868, AK-29934, AM803581, BR-29934, AX8158999, DB-028085, ST2413758, TC-069342, 4CH-008128, CS-0082383, FT-0646063, W4831, Hppyrrolo[1,2-f]pyrimidine-3-carboxylic acid, S-4395, 102H279, C8H6N2O2, H-pyrrolo[1,2-f]pyrimidine-3-carboxylic acid, Pyrrolo[1,2-c]pyrimidine-3-carboxylic acid (9CI),

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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