AG003EEQ

948552-36-1 | 1H-Pyrazole-5-carboxaldehyde

AG003EEQ

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CAS Number	948552-36-1
Catalog Number	AG003EEQ(AGN-PC-0NI4GD)
Chemical Name	1H-Pyrazole-5-carboxaldehyde
IUPAC Name	1H-pyrazole-5-carbaldehyde
InChI	InChI=1S/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
InChI Key	ICFGFAUMBISMLR-UHFFFAOYSA-N
MDL Number	MFCD06657574
Molecular Formula	C4H4N2O
Molecular Weight	96.0874
SMILES	O=CC1=CC=NN1
Synonyms	1H-Pyrazole-3-carbaldehyde, 1H-pyrazole-5-carbaldehyde, 3920-50-1, Pyrazole-3-carboxaldehyde, 948552-36-1, 1H-Pyrazole-5-carboxaldehyde, 1H-Pyrazole-3-carboxaldehyde, 2H-Pyrazole-3-carbaldehyde, 3-Pyrazolecarboxaldehyde, Pyrazol-3-carbaldehyde, 1H-Pyrazole-3-carbaldehyde,dimer, 1H-Pyrazole-3-carbxaldehyde, pyrazole-3-carbaldehyde, 209002-03-9, ICFGFAUMBISMLR-UHFFFAOYSA-N, MFCD00129925, formylpyrazole, 3-formylpyrazole, pyrazole-3-aldehyde, pyrazole-5-aldehyde, 3-formyl-1H-pyrazole, PubChem14337, pyrazol-3-carboxaldehyde, AC1Q6PVX, AC1Q6PZ7, KSC220O9P, PYRAZOLE-5-CARBALDEHYDE, CTK1C0797, CTK3I5736, ACN-P000725, BCP26854, KS-000001XB, ANW-49491, CP-478, GEO-02174, MFCD06657574, RW1185, SBB052310, STL414653, ZINC14808558, AKOS005145964, AKOS015854501, AB25611, ACN-000325, ACN-000725, CS-W004202, GS-5722, MCULE-5970837649, QC-4519, RP00387, TRA0093434, 1H-Pyrazole-3-carbaldehyde, AldrichCPR, 1H-Pyrazole-5-carbaldehyde, AldrichCPR, AC-14384, AJ-65469, AK-25900, BC207627, BL001484, BR-25900, SC-21602, SC-87756, SY005607, AB0024643, AB1000526, AJ-128511, DB-008062, ST2413711, TC-138236, TR-015718, 4CH-001811, A6568, AM20100032, FT-0080110, FT-0647845, P2261, ST24038295, W5960, Y5116, EN300-36665, KS-00002650, Pyrazole-3-carboxaldehyde, containing oligomers, S-3612, 920P501, I11-0394, W-200336, I14-15405, null, C4H4N2O, 1H-Pyrazole-3(5)-carbxaldehyde, C2082, 1H-pyrazole-3-carbaldehyde, 95% - 1G 1g,

Complexity	74.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	96.032g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	96.089g/mol
Monoisotopic Mass	96.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H315-H319
Packing Group	Ⅲ
Precautionary statements	P264-P280-P302+P352-P337+P313-P362+P364-P332+P313
UN Code	UN 1760

Certificate of Analysis

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