AG003D6O

1522-13-0 | 1,1,3-Triphenylpropargyl alcohol

AG003D6O

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CAS Number	1522-13-0
Catalog Number	AG003D6O(AGN-PC-0Q6AGF)
Chemical Name	1,1,3-Triphenylpropargyl alcohol
IUPAC Name	1,1,3-triphenylprop-2-yn-1-ol
InChI	InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H
InChI Key	VWRQCJRTHKUVNF-UHFFFAOYSA-N
MDL Number	MFCD00004449
Molecular Formula	C21H16O
Molecular Weight	284.3511
NSC Number	52241
SMILES	OC(C1=CC=CC=C1)(C2=CC=CC=C2)C#CC3=CC=CC=C3
Synonyms	1,1,3-Triphenylpropargyl alcohol, 1522-13-0, 1,1,3-triphenylprop-2-yn-1-ol, 1,1,3-Triphenyl-2-propyn-1-ol, Diphenyl(phenylethynyl)carbinol, MLS002667511, Benzenemethanol, .alpha.-phenyl-.alpha.-(phenylethynyl)-, MFCD00004449, 1,1,3-Triphenylpropargylalcohol, NSC52241, 2-Propyn-1-ol, 1,1,3-triphenyl-, PubChem14025, ACMC-209d7i, Triphenyl-1-propyne-3-ol, AC1L39SW, Cambridge id 5109253, Oprea1_579331, Diphenylphenylacetylenylcarbinol, SCHEMBL2241808, CHEMBL1699527, CTK8B0842, DTXSID20164971, 2-Propyn-1-ol,1,3-triphenyl-, HMS3089C09, ACT05149, ZINC1226870, 1,1,3-Triphenyl-prop-2-yn-1-ol, ANW-21388, CT-453, FC1053, NSC-52241, SBB009045, STK367236, AKOS001579646, AS06776, CCG-103659, MCULE-1553082097, AJ-25114, AK-45595, AN-49373, BR-45595, CC-02590, SMR001557277, ZB016075, AB0005258, AX8001304, DB-011813, TR-006272, EU-0067603, FT-0606014, ST24026711, ST50319841, W3320, Benzenemethanol, a-phenyl-a-(2-phenylethynyl)-, X-1538, C-17911, SR-01000395534, A-PHENYL-A-(2-PHENYLETHYNYL)-BENZENEMETHANOL, I01-3213, J-008902, SR-01000395534-1, A-PHENYL-ALPHA-(PHENYLETHYNYL)BENZENE-METHANOL, BENZENEMETHANOL, ALPHA-PHENYL-ALPHA-(2-PHENYLETHYNYL)-, InChI=1/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22, C21H16O, CID137058, A3345, T2418,

Complexity	376
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.12g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	284.358g/mol
Monoisotopic Mass	284.12g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302+H312+H332-H315-H319-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number