AG003TQ0

2579-22-8 | 3-Phenylpropiolaldehyde

AG003TQ0

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CAS Number	2579-22-8
Catalog Number	AG003TQ0(AGN-PC-0JLPK4)
Chemical Name	3-Phenylpropiolaldehyde
EC Number	219-942-0
IUPAC Name	3-phenylprop-2-ynal
InChI	InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChI Key	IDASOVSVRKONFS-UHFFFAOYSA-N
MDL Number	MFCD00006995
Molecular Formula	C9H6O
Molecular Weight	130.1433
NSC Number	47568
SMILES	C1=C(C=CC=C1)C#CC=O
Synonyms	phenylpropynal, 3-Phenylpropiolaldehyde, 2579-22-8, Phenylpropiolaldehyde, Phenylpropargyl aldehyde, Phenylpropynal, Phenylpropargylaldehyde, 2-Propynal, 3-phenyl-, 3-Phenyl-2-propynal, 3-Phenylpropynal, 3-phenylprop-2-ynal, Benzenepropiolaldehyde, Phenylacetylenecarboxaldehyde, Propiolaldehyde, phenyl-, NSC 47568, IDASOVSVRKONFS-UHFFFAOYSA-N, Phenyl-propynal, EINECS 219-942-0, phenyl propargylaldehyde, 3-phenyl-prop-2-ynal, AI3-33277, AC1Q6PGY, AC1Q6PGZ, AC1L2PF7, phenylacetylene carboxaldehyde;, SCHEMBL136424, Phenylpropargyl aldehyde, 96%, Jsp005097, CTK1A2096, Propiolaldehyde, phenyl- (8CI), DTXSID80180455, ACT09744, EBD90540, KS-00000K2E, NSC47568, ZINC1679343, MFCD00006995, NSC-47568, TD1326, AKOS015888243, ACN-046296, AS06906, CS-W009214, LS11729, VZ33655, AJ-29571, AK-68235, AS-15694, BP-10874, BR-68235, CJ-27508, Q296, SC-89627, AB0017500, ST2417837, 4CH-012902, AM20060577, FT-0634376, M-3440, 579P228, I01-0664, W-107217, InChI=1/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8, C9H6O, C9-H6-O, 2-Propynal, 3-phenyl- (9CI), CID75740, AR-1L0662, Phenylpropargyl aldehyde, 95% - 1G 1g, 89596-24-7,

Complexity	164
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	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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