AG003ITE

41908-11-6 | 3-Acetylbenzaldehyde

AG003ITE

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CAS Number	41908-11-6
Catalog Number	AG003ITE(AGN-PC-0WB3DD)
Chemical Name	3-Acetylbenzaldehyde
IUPAC Name	3-acetylbenzaldehyde
InChI	InChI=1S/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H3
InChI Key	QVNFUJVNBRCKNJ-UHFFFAOYSA-N
MDL Number	MFCD05865161
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	O=CC1=CC=CC(C(C)=O)=C1
Synonyms	3-acetylbenzaldehyde, 41908-11-6, m-formylacetophenone, 3-Formylacetophenone, ACMC-20anam, 3-acetyl-benzaldehyde, benzaldehyde, 3-acetyl-, 3-Acetylbenzaldehyde, 95%, AC1LD784, SCHEMBL1482839, CTK4I5419, DTXSID50349178, QVNFUJVNBRCKNJ-UHFFFAOYSA-N, ZINC2563910, MFCD05865161, AKOS006222300, AJ-40970, DB-029161, TC-169861, FT-0763026, KS-00001956, Y-1981, I01-8389, InChI=1/C9H8O2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-6H,1H, 3-ACETYLBENZALDEHYDE97, Benzaldehyde, 3-acetyl- (9CI), CID643436, 1-(2-BROMOETHYL)-1H-1,2,4-TRIAZOLE,

Complexity	163
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	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number