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101597-25-5,MFCD00420323
Catalog No.:AA0004UD
101597-25-5 | 1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$89.00   $62.00
- +
1g
97%
1 week  
$135.00   $94.00
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5g
97%
1 week  
$325.00   $228.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004UD
Chemical Name:
1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol
CAS Number:
101597-25-5
Molecular Formula:
C17H16O3
Molecular Weight:
268.3071
MDL Number:
MFCD00420323
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
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(C#C)O
Properties
Computed Properties
 
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  

Synonyms
 
1,1-bis(4-methoxyphenyl)prop-2-yn-1-ol 
101597-25-5 
DTXSID10405188 
RFNDMLXNYMQMGN-UHFFFAOYSA-N 
ZINC235658 
KS-00000M4O 
MFCD00420323 
CCG-103346 
AK481370 
DS-18915 
1,1-Bis(4-methoxyphenyl)-2-propyne-1-ol 
CS-0037000 
1,1-BIS(4-METHOXYPHENYL)-2-PROPYN-1-OL 
SR-01000391134 
SR-01000391134-1 
ZINC00235658 
CID4644448 
1,1-bis(4-methoxyphenyl)-prop-2-yn-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 
Literature

Title: Methyl 9-diethyl-amino-2,2-bis-(4-meth-oxy-phen-yl)-2H-benzo[h]chromene-5-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

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