AG00AOLA

17289-26-8 | 1-Methyl-1H-imidazole-4-carbaldehyde

AG00AOLA

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CAS Number	17289-26-8
Catalog Number	AG00AOLA(AGN-PC-0JT48R)
Chemical Name	1-Methyl-1H-imidazole-4-carbaldehyde
IUPAC Name	1-methylimidazole-4-carbaldehyde
InChI	InChI=1S/C5H6N2O/c1-7-2-5(3-8)6-4-7/h2-4H,1H3
InChI Key	CQZXDIHVSPZIGF-UHFFFAOYSA-N
MDL Number	MFCD03411957
Molecular Formula	C5H6N2O
Molecular Weight	110.1139
SMILES	C(=O)c1cn(cn1)C
Synonyms	1-Methyl-1H-imidazole-4-carbaldehyde, 17289-26-8, 1-methylimidazole-4-carbaldehyde, 1-Methylimidazole-4-carboxaldehyde, 1-Methyl-1H-imidazole-4-carboxaldehyde, CQZXDIHVSPZIGF-UHFFFAOYSA-N, 1H-IMIDAZOLE-4-CARBOXALDEHYDE, 1-METHYL-, MFCD03411957, AC1LCBAL, AC1Q6QAO, AC1Q3Z1J, SCHEMBL18066, CTK4D4404, 1-methylimidazol-4-carboxaldehyde, 4-Formyl-1-methyl-1H-imidazole, DTXSID00341485, KS-000006NH, ZINC3880797, ANW-66332, SBB052315, AKOS006221618, AS-5699, PB24797, RP00492, 1-Methyl-1H-imidazole-4-carbaldehyde #, 1H-Imidazole-4-carboxaldehyde,1-methyl-, AJ-46546, AK-60588, SC-45432, METHYL-1H-IMIDAZOLE-4-CARBALDEHYDE, AB0003779, TC-155077, CS-0052470, FT-0687391, Y7820, Q-1838, I11-0529, W-206047, C5H6N2O, AR-1C4713, CID573419, ZINC03880797, 1733-93-3,

Complexity	94.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.116g/mol
Monoisotopic Mass	110.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number