Home Other Building Blocks 4-methoxy-2-(3-methylbutoxy)benzoic acid

4-methoxy-2-(3-methylbutoxy)benzoic acid

CAS No.:
1285556-26-4
Catalog Number:
AG01BDHI
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BDHI
Chemical Name:
4-methoxy-2-(3-methylbutoxy)benzoic acid
CAS Number:
1285556-26-4
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD19690131
IUPAC Name:
4-methoxy-2-(3-methylbutoxy)benzoic acid
InChI:
InChI=1S/C13H18O4/c1-9(2)6-7-17-12-8-10(16-3)4-5-11(12)13(14)15/h4-5,8-9H,6-7H2,1-3H3,(H,14,15)
InChI Key:
FNPAGFSEEAPODB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)OCCC(C)C)C(=O)O
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties