AG00DIW2

473249-36-4 | 1H-Pyrazole-4-carboxaldehyde, 1-propyl- (9CI)

AG00DIW2

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CAS Number	473249-36-4
Catalog Number	AG00DIW2(AGN-PC-0LFX15)
Chemical Name	1H-Pyrazole-4-carboxaldehyde, 1-propyl- (9CI)
IUPAC Name	1-propylpyrazole-4-carbaldehyde
InChI	InChI=1S/C7H10N2O/c1-2-3-9-5-7(6-10)4-8-9/h4-6H,2-3H2,1H3
InChI Key	VGOOENCTKLBWEI-UHFFFAOYSA-N
MDL Number	MFCD03727244
Molecular Formula	C7H10N2O
Molecular Weight	138.1671
SMILES	CCCN1C=C(C=O)C=N1
Synonyms	1-Propyl-1H-pyrazole-4-carbaldehyde, 473249-36-4, 1-propylpyrazole-4-carbaldehyde, 1H-Pyrazole-4-carboxaldehyde, 1-propyl-, AC1NFP73, AMOT0263, SCHEMBL1197473, CTK6E4618, DTXSID60405678, ZINC2510460, MFCD03727244, SBB010272, STK349732, AKOS000303331, AM85780, CS-W007154, DS-4937, MCULE-5104690061, NE33941, QC-4680, AJ-36450, AK110757, BAS 10150221, AB0038423, TR-055979, ST24038191, ST45119049, Y5790, EN300-79617, 1H-Pyrazole-4-carboxaldehyde, 1-propyl- (9CI), F8880-3572, C7H10N2O, ZINC02510460, CID4711792,

Complexity	116
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	3
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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