AG002TS5

26591-66-2 | 2-Phenylmalonaldehyde

AG002TS5

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CAS Number	26591-66-2
Catalog Number	AG002TS5(AGN-PC-0KYCWT)
Chemical Name	2-Phenylmalonaldehyde
IUPAC Name	2-phenylpropanedial
InChI	InChI=1S/C9H8O2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-7,9H
InChI Key	PGTSKBVCLZBQFK-UHFFFAOYSA-N
MDL Number	MFCD03426041
Molecular Formula	C9H8O2
Molecular Weight	148.1586
SMILES	O=CC(C1=CC=CC=C1)C=O
Synonyms	2-phenylmalonaldehyde, 2-Phenylmalondialdehyde, 26591-66-2, 2-phenylpropanedial, Propanedial, 2-phenyl-, 2-(phenyl)malondialdehyde, phenylmalonaldehyde, phenyl malonaldehyde, Phenylpropane-1,3-dial, 2-phenylpropane-1,3-dial, AC1MUV66, SCHEMBL548634, CTK1A0945, DTXSID70394882, PGTSKBVCLZBQFK-UHFFFAOYSA-N, 8792AD, MFCD03426041, SBB086577, AKOS005216223, ZINC100000508, PS-11763, TR-012043, FT-0676527, FT-0693843, C-6045, 36739-EP2311801A1, 36739-EP2311802A1, 36739-EP2311803A1, 36739-EP2371814A1, J-016483, C9H8O2, CID3672296, 89333-12-0,

Complexity	129
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	3
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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