AG003KA0

57341-98-7 | 4-(Phenylethynyl)benzaldehyde

AG003KA0

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CAS Number	57341-98-7
Catalog Number	AG003KA0(AGN-PC-0JTQSG)
Chemical Name	4-(Phenylethynyl)benzaldehyde
IUPAC Name	4-(2-phenylethynyl)benzaldehyde
InChI	InChI=1S/C15H10O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-12H
InChI Key	SYCFYQFCFHKYPI-UHFFFAOYSA-N
MDL Number	MFCD00114585
Molecular Formula	C15H10O
Molecular Weight	206.2393
SMILES	O=CC1=CC=C(C#CC2=CC=CC=C2)C=C1
Synonyms	4-(Phenylethynyl)benzaldehyde, 57341-98-7, 4-Phenylethynyl-benzaldehyde, 4-phenylethynylbenzaldehyde, 4-(2-Phenylethynyl)benzaldehyde, 4-(2-Phenyleth-1-ynyl)benzaldehyde, Benzaldehyde, 4-(phenylethynyl)-, SYCFYQFCFHKYPI-UHFFFAOYSA-N, AK-35697, AC1LD0GX, 4-Phenylethynyl-benzaldehyd, (4-phenylethynyl)benzaldehyde, p-(Phenylethynyl)benzaldehyde, Benzaldehyde, p-phenylethynyl-, SCHEMBL1816905, CTK5A6692, DTXSID50346142, Benzaldehyde,4-(2-phenylethynyl)-, ZINC2159115, ZX-AT017749, ANW-47860, Benzaldehyde, 4-(2-phenylethynyl)-, MFCD00114585, RW1163, RW3689, SBB052182, AKOS015888780, CS-W002377, OR25608, QC-2261, RP26230, TRA0093220, KS-000000E5, AJ-33692, AN-39960, BC620187, BR-35697, CC-20325, CJ-07809, CJ-33134, DS-12738, SY022022, AB0025588, AX8015772, DB-006895, ST2405458, TC-061532, 4CH-000700, AM20040745, FT-0081179, FT-0616550, W7074, S-3142, MFCD00114585 (97+%), A831402, C-10280, J-515945, I01-13486, 4- benzaldehyde, C15H10O, CID609908, ZINC02159115,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.073g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.244g/mol
Monoisotopic Mass	206.073g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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