Home Other Building Blocks 4-(3-acetylphenoxy)butanoic acid

4-(3-acetylphenoxy)butanoic acid

CAS No.:
756485-02-6
Catalog Number:
AG01A7VD
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG01A7VD
Chemical Name:
4-(3-acetylphenoxy)butanoic acid
CAS Number:
756485-02-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD09817028
IUPAC Name:
4-(3-acetylphenoxy)butanoic acid
InChI:
InChI=1S/C12H14O4/c1-9(13)10-4-2-5-11(8-10)16-7-3-6-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)
InChI Key:
XGZBCEWPYFSMNG-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1cccc(c1)C(=O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties