AG003I8W

43114-43-8 | 3-(Methylsulfonyl)benzaldehyde

AG003I8W

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CAS Number	43114-43-8
Catalog Number	AG003I8W(AGN-PC-00N85U)
Chemical Name	3-(Methylsulfonyl)benzaldehyde
IUPAC Name	3-methylsulfonylbenzaldehyde
InChI	InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChI Key	OVSMURBVBQUOSF-UHFFFAOYSA-N
MDL Number	MFCD11052329
Molecular Formula	C8H8O3S
Molecular Weight	184.2123
SMILES	CS(=O)(=O)C1=CC=CC(C=O)=C1
Synonyms	3-(METHYLSULFONYL)BENZALDEHYDE, 43114-43-8, 3-methanesulfonylbenzaldehyde, 3-Methylsulfonylbenzaldehyde, Benzaldehyde, 3-(methylsulfonyl)-, MFCD11052329, ACMC-1APHD, SCHEMBL41941, 3-methanesulfonyl benzaldehyde, 3-methanesulfonyl-benzaldehyde, 3-Formylphenyl methyl sulphone, 3-methanesulphonyl-benzaldehyde, 3-(Methanesulfonyl)benzaldehyde, 3-(Methylsulphonyl)benzaldehyde, CTK4I7031, Benzaldehyde,3-(methylsulfonyl)-, DTXSID40544655, OVSMURBVBQUOSF-UHFFFAOYSA-N, ANW-29926, ZINC34101849, AKOS006308930, PS-4974, TRA0082503, AJ-86954, AK-49796, CJ-18182, SC-27227, SY002952, AB0064303, AB1004458, TC-118671, CS-0045737, ST24041628, V5931, Z-3339, MFCD11052329 (95+%), I01-10016, 3- BENZALDEHYDE, C8H8O3S,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.209g/mol
Monoisotopic Mass	184.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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