AG003TQ2

637-44-5 | 3-Phenylpropiolic acid

AG003TQ2

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CAS Number	637-44-5
Catalog Number	AG003TQ2(AGN-PC-03EAX6)
Chemical Name	3-Phenylpropiolic acid
EC Number	211-285-8
IUPAC Name	3-phenylprop-2-ynoic acid
InChI	InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
InChI Key	XNERWVPQCYSMLC-UHFFFAOYSA-N
MDL Number	MFCD00004361
Molecular Formula	C9H6O2
Molecular Weight	146.1427
NSC Number	13669
SMILES	C(#CC(=O)O)c1ccccc1
Synonyms	phenylpropiolic acid, Phenylpropiolic acid, 3-Phenylpropiolic acid, 637-44-5, Phenylpropynoic acid, 3-phenylprop-2-ynoic acid, Phenylacetylenecarboxylic acid, 3-Phenylpropynoic acid, 2-Propynoic acid, 3-phenyl-, 3-Phenyl-2-propynoic acid, Phenylacetylene monocarboxylic acid, Propiolic acid, 3-phenyl-, Phenyl propiolic acid, Phenylpropiolate, Propiolic acid, phenyl-, MFCD00004361, phenyl-propiolic acid, Phenylpropargylic Acid, 3-phenyl-propiolic acid, NSC 13669, beta-phenylpropargylic acid, XNERWVPQCYSMLC-UHFFFAOYSA-N, Phenylpropiolic acid, 97%, 3-Phenyl-2-propynoate, 3-PhenylpropiolicAcid, Phenylpropynoate, Phenylpropioplate, phenyl-propiolate, 3-Phenylpropiolate, 3-Phenylpropynoate, b-phenylpropargylate, 3-phenyl-propiolate, EINECS 211-285-8, Phenylpropioplic acid, Phenyl-propynoic acid, beta-phenylpropargylate, PubChem13737, ACMC-209nhq, b-Phenylpropargylic acid, phenyl-(8CI)propiolate, 3-phenyl propiolic acid, 3-phenyl-propynoic acid, 3-Phenylpropargylic acid, Phenylacetylenecarboxylate, AI3-17875, AC1L2BYH, AC1Q5BQE, 3-phenylprop-2-ynic acid, AC1Q71JQ, Phenylpropiolic acid, 99%, phenyl-(8CI)propiolic acid, 3-phenyl-prop-2-ynoic acid, SCHEMBL68968, .beta.-Phenylpropargylic acid, KSC228A8J, Phenylacetylene monocarboxylate, 3-Phenyl-2-propynoic acid #, CHEMBL4059878, DTXSID7060918, CHEBI:90355, KS-00000CVF, Phenylacetylenemonocarboxylic acid, Propiolic acid, phenyl- (8CI), 637-44-5 Phenylpropiolic acid, ZINC332026, ALBB-000973, NSC13669, ANW-34716, BBL013196, NSC-13669, SBB044891, STK208480, WT2048, AKOS000121851, CS-W007319, MCULE-1724525388, RTR-021920, TRA0080768, VZ33656, AJ-19515, AK-86834, AN-47010, DS-18242, SC-13741, SY023402, AB1004160, DB-054536, TL8004472, TR-021920, FT-0632705, P0610, Phenylpropynoic acid; 3-Phenylpropynoic acid, ST24028616, ST45028995, Z4982, MFCD00004361 (98%), P-4190, AD-266/40164861, S01-0367, Z1245537958, InChI=1/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11, Phenylpropiolicacid, C9H6O2, C9-H6-O2, CID69475, ACN-031589, CS-M-17765, Phenylpropiolic acid, 96% - 100G 100g, M-3914,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.037g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.145g/mol
Monoisotopic Mass	146.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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

Lot Number