AG0001KF

100305-93-9 | 1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-

AG0001KF

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CAS Number	100305-93-9
Catalog Number	AG0001KF(AGN-PC-05FG8H)
Chemical Name	1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-
IUPAC Name	2-propan-2-ylpyrazole-3-carbaldehyde
InChI	InChI=1S/C7H10N2O/c1-6(2)9-7(5-10)3-4-8-9/h3-6H,1-2H3
InChI Key	JGQABCBGCJORGR-UHFFFAOYSA-N
MDL Number	MFCD03130042
Molecular Formula	C7H10N2O
Molecular Weight	138.1671
SMILES	C(C)(C)[N]1C(=CC=N1)C=O
Synonyms	100305-93-9, 1-Isopropyl-1H-pyrazole-5-carbaldehyde, 2-Isopropyl-2H-pyrazole-3-carbaldehyde, 2-Isopropylpyrazole-3-carbaldehyde, 1-(propan-2-yl)-1H-pyrazole-5-carbaldehyde, 1H-Pyrazole-5-carboxaldehyde, 1-(1-methylethyl)-, 1-(methylethyl)pyrazole-5-carbaldehyde, ACMC-2097oj, 1H-Pyrazole-5-carboxaldehyde,1-(1-methylethyl)-, SCHEMBL18145746, CTK7I0153, DTXSID50651809, ANW-14225, BBL029888, MFCD03130042, SBB026816, STK507045, ZINC20417382, 2-propan-2-ylpyrazole-3-carbaldehyde, AKOS000300659, AB13775, MCULE-6691766399, RTR-055569, AJ-77416, AK-88143, CJ-16736, DS-18436, TR-055569, CS-0044859, FT-0689756, ST45135569, Z6253, B-6210, I14-25100, C7H10N2O, 5-FORMYL-1-ISOPROPYLPYRAZOLE,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.17g/mol
Monoisotopic Mass	138.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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