AG003A9F

96184-81-5 | 4-Oxocyclohexanecarbaldehyde

AG003A9F

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CAS Number	96184-81-5
Catalog Number	AG003A9F(AGN-PC-0NH26Z)
Chemical Name	4-Oxocyclohexanecarbaldehyde
IUPAC Name	4-oxocyclohexane-1-carbaldehyde
InChI	InChI=1S/C7H10O2/c8-5-6-1-3-7(9)4-2-6/h5-6H,1-4H2
InChI Key	SFNKUFOBKQJUEB-UHFFFAOYSA-N
MDL Number	MFCD04972553
Molecular Formula	C7H10O2
Molecular Weight	126.1531
SMILES	O=C1CCC(CC1)C=O
Synonyms	4-oxocyclohexanecarbaldehyde, 96184-81-5, Cyclohexanone-4-carboxaldehyde, 4-oxocyclohexane-1-carbaldehyde, 4-formylcyclohexanone, 4-Oxo-cyclohexanecarboxaldehyde, 4-oxo-Cyclohexanecarboxyaldehyde, AK-46502, CYCLOHEXANECARBOXALDEHYDE, 4-OXO-, PubChem2083, cyclohexanecarboxaldehyde, 4-oxo- (9ci), Cyclohexanone-4-carbaldehyde, SCHEMBL87368, 4-Oxocyclohexanecarboxyaldehyde, DTXSID80457497, SFNKUFOBKQJUEB-UHFFFAOYSA-N, ZINC2540048, 6740AC, FCH849710, MFCD04972553, AKOS006293939, AB21200, CC-1312, VZ31621, KS-00000O85, AC-13307, AJ-38987, AN-34792, DS-13886, SC-94874, AB0100261, AX8099795, FT-0603750, 184O815, A1-03186, I14-8153, C7H10O2, ACN-049676, CID11170973, A11197,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.155g/mol
Monoisotopic Mass	126.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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