Home Other Building Blocks 3,4-dibutoxybenzoic acid

3,4-dibutoxybenzoic acid

CAS No.:
206536-14-3
Catalog Number:
AG019M95
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
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Product Description
Catalog Number:
AG019M95
Chemical Name:
3,4-dibutoxybenzoic acid
CAS Number:
206536-14-3
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
MDL Number:
MFCD01462074
IUPAC Name:
3,4-dibutoxybenzoic acid
InChI:
InChI=1S/C15H22O4/c1-3-5-9-18-13-8-7-12(15(16)17)11-14(13)19-10-6-4-2/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,17)
InChI Key:
NKULZYZHHWIWCP-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1OCCCC)C(=O)O
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties