AG0050Z7

821767-61-7 | tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate

AG0050Z7

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CAS Number	821767-61-7
Catalog Number	AG0050Z7(AGN-PC-03ZN69)
Chemical Name	tert-Butyl 4-formyl-1H-pyrazole-1-carboxylate
IUPAC Name	tert-butyl 4-formylpyrazole-1-carboxylate
InChI	InChI=1S/C9H12N2O3/c1-9(2,3)14-8(13)11-5-7(6-12)4-10-11/h4-6H,1-3H3
InChI Key	CVBRMQQRHHCMKV-UHFFFAOYSA-N
MDL Number	MFCD19707636
Molecular Formula	C9H12N2O3
Molecular Weight	196.2032
SMILES	CC(C)(C)OC(=O)N1C=C(C=O)C=N1
Synonyms	TERT-BUTYL 4-FORMYL-1H-PYRAZOLE-1-CARBOXYLATE, 821767-61-7, tert-butyl 4-formylpyrazole-1-carboxylate, AK-64291, 1H-Pyrazole-1-carboxylic acid, 4-formyl-, 1,1-dimethylethyl ester, SCHEMBL3730488, CTK3E2078, DTXSID10630938, CVBRMQQRHHCMKV-UHFFFAOYSA-N, KS-000004VF, ANW-54392, MFCD19707636, ZINC59722807, AKOS016001375, ACN-049405, FCH1192386, PB19703, DS-15409, SC-52575, AJ-113624, AX8211871, DB-023363, TX-017982, CS-0042886, FT-0687725, C-8784, Tert butyl-4-Formyl-1H pyrazole-1-carboxylate, 1-(t-butoxycarbonyl)-1H-pyrazol-4-carbaldehyde, tert-Butyl4-formyl-1H-pyrazole-1-carboxylate,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.085g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.206g/mol
Monoisotopic Mass	196.085g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	61.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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