Home Other Building Blocks 2-butoxy-4-methoxybenzoic acid

2-butoxy-4-methoxybenzoic acid

CAS No.:
95420-80-7
Catalog Number:
AG01ACQM
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
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Product Description
Catalog Number:
AG01ACQM
Chemical Name:
2-butoxy-4-methoxybenzoic acid
CAS Number:
95420-80-7
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD09712093
IUPAC Name:
2-butoxy-4-methoxybenzoic acid
InChI:
InChI=1S/C12H16O4/c1-3-4-7-16-11-8-9(15-2)5-6-10(11)12(13)14/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChI Key:
SMCKTGDZPSRAJW-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(OC)ccc1C(=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:
2.5  
Properties