AG003JOV

21487-48-9 | 3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

AG003JOV

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CAS Number	21487-48-9
Catalog Number	AG003JOV(AGN-PC-0JWZ9Q)
Chemical Name	3-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
IUPAC Name	3-methyl-1-phenylpyrazole-4-carbaldehyde
InChI	InChI=1S/C11H10N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h2-8H,1H3
InChI Key	CVCOOKQWHMGEDQ-UHFFFAOYSA-N
MDL Number	MFCD02705915
Molecular Formula	C11H10N2O
Molecular Weight	186.2099
SMILES	N1(C2C=CC=CC=2)C=C(C(C)=N1)C=O
Synonyms	3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, 21487-48-9, 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, AC1LI4RL, ACMC-20an13, AC1Q2PO7, SCHEMBL719535, CTK4E6918, DTXSID40357267, CVCOOKQWHMGEDQ-UHFFFAOYSA-N, ZINC383293, 7296AD, MFCD02705915, AKOS002662944, FS-5550, MCULE-7160204787, 3-methyl-1-phenylpyrazole-4-carbaldehyde, AJ-20363, AB1007583, TC-169518, 1-phenyl-3-methyl-1H-4-pyrazolylformaldehyde, EN300-16826, 1-Phenyl-3-methyl-1H-pyrazole-4-carbaldehyde, W-9697, 1H-Pyrazole-4-carboxaldehyde,3-methyl-1-phenyl-, AO-476/04434043, J-014099, 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde, 97%, null, C11H10N2O, CID848884, ZINC00383293, 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde,97%,

Complexity	202
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	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H320
Packing Group
Precautionary statements	P264-P305+P351+P338-P337+P313
UN Code

Certificate of Analysis

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