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Home Other Building Blocks 4-tert-Butylphenylacetic acid

4-tert-Butylphenylacetic acid

CAS No.:
32857-63-9
Catalog Number:
AG00345F
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$43
- +
25g
98%
In Stock USA
United States
$137
- +
100g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG00345F
Chemical Name:
4-tert-Butylphenylacetic acid
CAS Number:
32857-63-9
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00082593
IUPAC Name:
2-(4-tert-butylphenyl)acetic acid
InChI:
InChI=1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
RUAYXHSDAMWEDR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)C(C)(C)C
EC Number:
251-264-0
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
(4-tert-Butyl-phenyl)-acetic acid. Acta crystallographica. Section E, Structure reports online 20081001
Properties