AG00CIZ0

4121-22-6 | 5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde (7CI,8CI,9CI)

AG00CIZ0

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CAS Number	4121-22-6
Catalog Number	AG00CIZ0(AGN-PC-0LQI9I)
Chemical Name	5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde (7CI,8CI,9CI)
IUPAC Name	5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
InChI	InChI=1S/C7H5N3O/c11-4-5-3-10-7-6(5)8-1-2-9-7/h1-4H,(H,9,10)
InChI Key	FZSSHQHTQKYNQL-UHFFFAOYSA-N
MDL Number	MFCD10697810
Molecular Formula	C7H5N3O
Molecular Weight	147.1341
NSC Number	186053
SMILES	C(=O)c1c2c(nc1)[nH]ccn2
UNII	L6MS2AXZ4H
Synonyms	4121-22-6, 5H-Pyrrolo[2,3-b]pyrazine-7-carbaldehyde, 5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde, UNII-L6MS2AXZ4H, NSC186053, L6MS2AXZ4H, 5H-Pyrrolo(2,3-b)pyrazine-7-carbaldehyde, 5H-Pyrrolo[2,3-b]pyrazine-7-carboxaldehyde (7CI,8CI,9CI), NSC 186053, AC1NTLUY, SCHEMBL1696892, SCHEMBL1696894, CTK1D6751, DTXSID80194133, FZSSHQHTQKYNQL-UHFFFAOYSA-N, KS-000003EX, ZINC6599358, 5656AB, ANW-72320, MFCD10697810, AKOS006305573, NSC-186053, PB29790, AJ-56410, AK-42544, DS-14083, 5H-pyrrolo[5,4-b]pyrazine-7-carbaldehyde, ST2406356, TX-017209, 4CH-017667, CS-0050466, Q-2744, C7H5N3O, CID5383707, 1-(5H-Pyrrolo[2,3-b]pyrazin-7-yl)ethanone, 1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)ethanone, 95% - 1G 1g,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	147.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	147.137g/mol
Monoisotopic Mass	147.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.6A^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-H317
Packing Group
Precautionary statements	P280
UN Code

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