Home Other Building Blocks 4-(pentan-3-yloxy)benzoic acid

4-(pentan-3-yloxy)benzoic acid

CAS No.:
1500024-56-5
Catalog Number:
AG01C20L
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
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Product Description
Catalog Number:
AG01C20L
Chemical Name:
4-(pentan-3-yloxy)benzoic acid
CAS Number:
1500024-56-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD23832771
IUPAC Name:
4-pentan-3-yloxybenzoic acid
InChI:
InChI=1S/C12H16O3/c1-3-10(4-2)15-11-7-5-9(6-8-11)12(13)14/h5-8,10H,3-4H2,1-2H3,(H,13,14)
InChI Key:
IORPZOKHCNDOTA-UHFFFAOYSA-N
SMILES:
CCC(Oc1ccc(cc1)C(=O)O)CC
Properties
Complexity:
191  
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:
5  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties