AG0004X5

101597-25-5 | Benzenemethanol, α-ethynyl-4-methoxy-α-(4-methoxyphenyl)-

AG0004X5

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CAS Number	101597-25-5
Catalog Number	AG0004X5(AGN-PC-0OQSKW)
Chemical Name	Benzenemethanol, α-ethynyl-4-methoxy-α-(4-methoxyphenyl)-
IUPAC Name	1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol
InChI	InChI=1S/C17H16O3/c1-4-17(18,13-5-9-15(19-2)10-6-13)14-7-11-16(20-3)12-8-14/h1,5-12,18H,2-3H3
InChI Key	RFNDMLXNYMQMGN-UHFFFAOYSA-N
MDL Number	MFCD00420323
Molecular Formula	C17H16O3
Molecular Weight	268.3071
SMILES	OC(C1=CC=C(OC)C=C1)(C#C)C2=CC=C(OC)C=C2
Synonyms	1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol, 101597-25-5, 1,1-BIS(4-METHOXYPHENYL)-2-PROPYN-1-OL, Benzenemethanol, a-ethynyl-4-methoxy-a-(4-methoxyphenyl)-, 1,1-di(4-methoxyphenyl)prop-2-yn-1-ol, AC1NEM3I, ACMC-20m4n4, Oprea1_543436, SCHEMBL164160, CTK4A0001, DTXSID10405188, RFNDMLXNYMQMGN-UHFFFAOYSA-N, ZINC235658, KS-00000M4O, MFCD00420323, CCG-103346, AK481370, DS-18915, 1,1-Bis(4-methoxyphenyl)-2-propyne-1-ol, CS-0037000, SR-01000391134, SR-01000391134-1, ZINC00235658, CID4644448, 1,1-bis(4-methoxyphenyl)-prop-2-yn-1-ol,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.11g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.312g/mol
Monoisotopic Mass	268.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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