Home Other Building Blocks 3,4-dipropoxybenzoic acid

3,4-dipropoxybenzoic acid

CAS No.:
794582-28-8
Catalog Number:
AG019NQI
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
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Product Description
Catalog Number:
AG019NQI
Chemical Name:
3,4-dipropoxybenzoic acid
CAS Number:
794582-28-8
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
MDL Number:
MFCD06368058
IUPAC Name:
3,4-dipropoxybenzoic acid
InChI:
InChI=1S/C13H18O4/c1-3-7-16-11-6-5-10(13(14)15)9-12(11)17-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15)
InChI Key:
KVGLIDHZBWTUQL-UHFFFAOYSA-N
SMILES:
CCCOc1cc(ccc1OCCC)C(=O)O
Properties
Complexity:
230  
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:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Studies on synthesis and structure-activity relationship (SAR) of derivatives of a new natural product from marine fungi as inhibitors of influenza virus neuraminidase. Marine drugs 20110101
Properties