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

2-butoxy-4-propoxybenzoic acid

CAS No.:
1155118-54-9
Catalog Number:
AG01BCTH
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCTH
Chemical Name:
2-butoxy-4-propoxybenzoic acid
CAS Number:
1155118-54-9
Molecular Formula:
C14H20O4
Molecular Weight:
252.3062
MDL Number:
MFCD12072069
IUPAC Name:
2-butoxy-4-propoxybenzoic acid
InChI:
InChI=1S/C14H20O4/c1-3-5-9-18-13-10-11(17-8-4-2)6-7-12(13)14(15)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,16)
InChI Key:
YOLFTPAAHIIVSB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(OCCC)ccc1C(=O)O
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.136g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.31g/mol
Monoisotopic Mass:
252.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties