Home Other Building Blocks 2-(benzyloxy)-4-propoxybenzoic acid

2-(benzyloxy)-4-propoxybenzoic acid

CAS No.:
1154276-55-7
Catalog Number:
AG01BD8A
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
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Product Description
Catalog Number:
AG01BD8A
Chemical Name:
2-(benzyloxy)-4-propoxybenzoic acid
CAS Number:
1154276-55-7
Molecular Formula:
C17H18O4
Molecular Weight:
286.3224
MDL Number:
MFCD13707021
IUPAC Name:
2-phenylmethoxy-4-propoxybenzoic acid
InChI:
InChI=1S/C17H18O4/c1-2-10-20-14-8-9-15(17(18)19)16(11-14)21-12-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChI Key:
ITOIQHPSDKKREF-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)OCc1ccccc1)C(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.327g/mol
Monoisotopic Mass:
286.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties