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101267-73-6,MFCD06823817
Catalog No.:AA000413
101267-73-6 | Acetic acid, 2-[4-(1,1-dimethylpropyl)phenoxy]-
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500mg
2 weeks  
$427.00   $299.00
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Technical Information
Catalog Number:
AA000413
Chemical Name:
Acetic acid, 2-[4-(1,1-dimethylpropyl)phenoxy]-
CAS Number:
101267-73-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD06823817
IUPAC Name:
2-[4-(2-methylbutan-2-yl)phenoxy]acetic acid
InChI:
InChI=1S/C13H18O3/c1-4-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15/h5-8H,4,9H2,1-3H3,(H,14,15)
InChI Key:
YVDCGOWSUYVCSD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)OCC(=O)O)(C)C
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

Synonyms
 
101267-73-6 
2-[4-(TERT-PENTYL)PHENOXY]ACETIC ACID 
BBB/389 
DTXSID00586379 
(4-tert-pentylphenoxy)acetic acid 
ZINC8905531 
ZX-AS003624 
2-(4-tert-Pentylphenoxy)acetic acid 
7331AC 
7332AC 
SBB080006 
STL066598 
[4-(1,1-dimethylpropyl)phenoxy]acetic acid 
AKOS000125163 
MCULE-6364301686 
RTR-048147 
KS-000042U7 
ST088231 
4-(2-methylbutan-2-yl)phenoxyacetic acid 
BB0288720 
TR-048147 
AN-329/43385955 
4-butoxy-3-ethoxybenzoic acid 
[4-(2-methylbutan-2-yl)phenoxy]acetic acid 
C13H18O3 
C13H18O4 
101268-36-4 
Acetic acid, [4-(1,1-dimethylpropyl)phenoxy]- 
2-[4-(1,1-dimethylpropyl)phenoxy]acetic acid 
ACMC-20dxns 
ARONIS011778 
SCHEMBL5280680 
CTK0D9685 
Literature
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