Home Other Building Blocks 1208-64-6
1208-64-6,MFCD00796482
Catalog No.:AA003I2P
1208-64-6 | 3-(4-tert-Butylphenyl)propionic acid
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Purity
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Price(USD)
Quantity
  
1g
95%
in stock  
$78.00   $54.00
- +
5g
95%
in stock  
$232.00   $162.00
- +
10g
95%
in stock  
$429.00   $300.00
- +
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Technical Information
Catalog Number:
AA003I2P
Chemical Name:
3-(4-tert-Butylphenyl)propionic acid
CAS Number:
1208-64-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD00796482
IUPAC Name:
3-(4-tert-butylphenyl)propanoic acid
InChI:
InChI=1S/C13H18O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)
InChI Key:
BNJYANVQFVSYEK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1208-64-6 
3-(4-tert-Butyl-phenyl)-propionic acid 
4-t-butylhydrocinnamic aicd 
AC1NLQ89 
SCHEMBL846131 
4-tert-Butylhydrocinnamic acid 
AC1Q1M69 
CTK4B2074 
DTXSID30407023 
BNJYANVQFVSYEK-UHFFFAOYSA-N 
3-(4-t-butylphenyl)propionic acid 
3-(4-t-Butylphenyl)propanoic acid 
3-(4-(tert-Butyl)phenyl)propanoic acid 
ALBB-029468 
ZINC4206065 
SBB011149 
STL477134 
3-[4-(t-butyl)phenyl]propanoic acid 
AKOS000206740 
CS-W015310 
MCULE-2579189406 
TRA0083169 
AJ-48809 
3-(4-tert-butylphenyl)propanoic acid 
AK-45851 
AS-55153 
AB0000965 
DB-061825 
ST2401834 
TR-045223 
BB 0216333 
FT-0084141 
FT-0654879 
ST50321888 
MFCD00796482 
V0821 
Benzenepropanoic acid,4-(1,1-dimethylethyl)- 
EN300-13004 
B-1964 
Benzenepropanoic acid, 4-(1,1-dimethylethyl)- 
3-(4-tert-Butylphenyl)propanoic acid, AldrichCPR 
SR-01000068155 
SR-01000068155-1 
Z89270856 
C13H18O2 
3-(4-tert-Butylphenyl)propionic acid 
3-(4-(tert-Butyl)phenyl)propanoicacid 
ACN-031414 
CID4962173 
109425-55-0 
4-(1,1-dimethylethyl)Benzenepropanoic acid 
3-[4-(tert-butyl)phenyl]propanoic acid 
BAS 14742592 
4-t-butylhydrocinnamic acid 
Literature
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