AG0039YV

57121-49-0 | 4-Ethynyl-1H-pyrazole

AG0039YV

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CAS Number	57121-49-0
Catalog Number	AG0039YV(AGN-PC-0007WG)
Chemical Name	4-Ethynyl-1H-pyrazole
IUPAC Name	4-ethynyl-1H-pyrazole
InChI	InChI=1S/C5H4N2/c1-2-5-3-6-7-4-5/h1,3-4H,(H,6,7)
InChI Key	UXZQDYUBSQMFIE-UHFFFAOYSA-N
MDL Number	MFCD18207413
Molecular Formula	C5H4N2
Molecular Weight	92.0987
SMILES	C(#C)C=1C=NNC1
Synonyms	4-ETHYNYL-1H-PYRAZOLE, 57121-49-0, 1H-Pyrazole, 4-ethynyl-, 4-ethynylpyrazole, UXZQDYUBSQMFIE-UHFFFAOYSA-N, BBL103989, MFCD18207413, STL557799, ZINC34213175, AKOS025289848, PB15346, KS-000006M3, CS-0034022, Q-2117, F2167-5059,

Complexity	99.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	92.037g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	92.101g/mol
Monoisotopic Mass	92.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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