AG003KMQ

3457-45-2 | 4-Acetylbenzaldehyde

AG003KMQ

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CAS Number	3457-45-2
Catalog Number	AG003KMQ(AGN-PC-0LL1GD)
Chemical Name	4-Acetylbenzaldehyde
IUPAC Name	4-acetylbenzaldehyde
InChI	InChI=1S/C9H8O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChI Key	KTFKRVMXIVSARW-UHFFFAOYSA-N
MDL Number	MFCD02093689
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	CC(=O)C1=CC=C(C=O)C=C1
Synonyms	4-Acetylbenzaldehyde, 3457-45-2, 4-Formylacetophenone, Benzaldehyde, 4-acetyl-, AK-81603, 4'-Formylacetophenone, 4-acetyl-benzaldehyde, 4-ethanoylbenzaldehyde, PubChem23568, ACMC-1AJG5, AC1NMG76, 4-Acetylbenzaldehyde, 97%, SCHEMBL97268, CTK1C3181, KS-00000VFR, DTXSID00188115, KTFKRVMXIVSARW-UHFFFAOYSA-N, ZINC2389314, ANW-58452, MFCD02093689, AKOS015891025, ACM3457452, CS-W023080, FCH1118593, VZ28162, AJ-35568, CC-17642, SC-83916, AX8007613, DB-048651, ST2405505, TC-147197, 4CH-018465, FT-0634866, X2027, A822284, C-02607, I01-8388, J-019654, C9H8O2, C9-H8-O2, CID5009465,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.052g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.161g/mol
Monoisotopic Mass	148.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number