Home Other Building Blocks 3-Butoxy-4-methoxybenzoic acid

3-Butoxy-4-methoxybenzoic acid

CAS No.:
66924-20-7
Catalog Number:
AG00FA77
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$199
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Product Description
Catalog Number:
AG00FA77
Chemical Name:
3-Butoxy-4-methoxybenzoic acid
CAS Number:
66924-20-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD00831065
IUPAC Name:
3-butoxy-4-methoxybenzoic acid
InChI:
InChI=1S/C12H16O4/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:
MVXLURPNIOZKDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCC)C(=O)O
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties