AG0026PU

179055-27-7 | Benzaldehyde, 4-(1-methyl-1H-pyrazol-3-yl)-

AG0026PU

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CAS Number	179055-27-7
Catalog Number	AG0026PU(AGN-PC-0N653Z)
Chemical Name	Benzaldehyde, 4-(1-methyl-1H-pyrazol-3-yl)-
IUPAC Name	4-(1-methylpyrazol-3-yl)benzaldehyde
InChI	InChI=1S/C11H10N2O/c1-13-7-6-11(12-13)10-4-2-9(8-14)3-5-10/h2-8H,1H3
InChI Key	QWKUTEQPAJGRLZ-UHFFFAOYSA-N
MDL Number	MFCD08669906
Molecular Formula	C11H10N2O
Molecular Weight	186.2099
SMILES	O=CC1=CC=C(C2=NN(C)C=C2)C=C1
Synonyms	4-(1-METHYL-1H-PYRAZOL-3-YL)BENZALDEHYDE, 179055-27-7, 4-(1-methylpyrazol-3-yl)benzaldehyde, Benzaldehyde, 4-(1-methyl-1H-pyrazol-3-yl)-, Benzaldehyde,4-(1-methyl-1H-pyrazol-3-yl)-, SCHEMBL948672, CTK4D7160, KS-00000NQA, DTXSID70441365, QWKUTEQPAJGRLZ-UHFFFAOYSA-N, MFCD08669906, SBB090436, ZINC12370171, AKOS006220446, PS-3542, RP03443, AJ-61752, AK135616, AN-30709, 3-(4-Formylphenyl)-1-methyl-1H-pyrazole, 4-(l-methyl-1H-pyrazol-3-yl)benzaldehyde, DB-014338, RT-009073, AM20030186, CS-0061748, FT-0731059, Y8030, W-206263, I14-35541, C11H10N2O, ACN-039287, CID10535545, A3969,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.214g/mol
Monoisotopic Mass	186.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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