AG003JET

77123-56-9 | 3-Ethynylbenzaldehyde

AG003JET

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CAS Number	77123-56-9
Catalog Number	AG003JET(AGN-PC-0KKUAL)
Chemical Name	3-Ethynylbenzaldehyde
IUPAC Name	3-ethynylbenzaldehyde
InChI	InChI=1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H
InChI Key	IGIUWNVGCVCNPV-UHFFFAOYSA-N
MDL Number	MFCD06245349
Molecular Formula	C9H6O
Molecular Weight	130.1433
SMILES	O=CC1=CC=CC(C#C)=C1
Synonyms	3-ethynylbenzaldehyde, 77123-56-9, 3ethynylbenzaldehyde, 3-Ethinylbenzaldehyde, GL-0050, Benzaldehyde,3-ethynyl-, AC1MCK9L, (3-Formylphenyl)acetylene, ACMC-1BC3Q, AC1Q6PV3, 3-Ethynylbenzaldehyde, 97%, SCHEMBL577853, CTK5E3875, BENZALDEHYDE, 3-ETHYNYL-, DTXSID50377991, IGIUWNVGCVCNPV-UHFFFAOYSA-N, KS-00001OQ2, ZINC6667080, BBL104265, MFCD06245349, STL558402, AKOS000111536, AB23573, AC-5092, MCULE-9106510102, PS-3047, VZ26776, AJ-56580, AK121077, AN-11316, SC-20706, AB1007571, DB-056175, TR-024660, CS-0028345, FT-0641633, X5381, Y-2128, A838963, A1-00156, W-203766, D0H7JC, C9H6O, Benzaldehyde, 3-ethynyl- (9CI), CID2771644, GL-2045, 1-(4-bromophenyl)-3-[(4-methylphenyl)amino]propan-1-one, Recombinant Ig mimetics (Stradomer, autoimmunity/inflammation), Gliknik,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	130.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.146g/mol
Monoisotopic Mass	130.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319-H412
Packing Group
Precautionary statements	P273-P280-P305+P351+P338
UN Code

Certificate of Analysis

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