sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Acetic acid, 2-[2-(1,1-dimethylethyl)phenoxy]-

Acetic acid, 2-[2-(1,1-dimethylethyl)phenoxy]-

CAS No.:
19271-90-0
Catalog Number:
AG002G9B
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG002G9B
Chemical Name:
Acetic acid, 2-[2-(1,1-dimethylethyl)phenoxy]-
CAS Number:
19271-90-0
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD06655706
IUPAC Name:
2-(2-tert-butylphenoxy)acetic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,3)9-6-4-5-7-10(9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
JGLOJHIYXGMZEW-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccccc1C(C)(C)C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties