AG001SY5

1622883-44-6 | 1H-Pyrazole-4-carboxylic acid, 1-cyclopropyl-

AG001SY5

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CAS Number	1622883-44-6
Catalog Number	AG001SY5(AGN-PC-0WD7U3)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-cyclopropyl-
IUPAC Name	1-cyclopropylpyrazole-4-carboxylic acid
InChI	InChI=1S/C7H8N2O2/c10-7(11)5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,10,11)
InChI Key	AUPHADTZIOYAMZ-UHFFFAOYSA-N
MDL Number	MFCD28405628
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	OC(=O)C1=CN(N=C1)C1CC1
Synonyms	1-cyclopropyl-1H-pyrazole-4-carboxylic acid, 1622883-44-6, SCHEMBL3295288, KS-000005QL, MFCD28405628, AKOS024124943, ZINC166843865, SB13875, AK678661, DS-20053, 1-cyclopropyl-1H-pyrazole-4-carboxylicacid, CS-0052578, 1H-Pyrazole-4-carboxylic acid, 1-cyclopropyl-, Z1889709700,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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