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Home Other Building Blocks 2-Propoxybenzoic acid

2-Propoxybenzoic acid

CAS No.:
2100-31-4
Catalog Number:
AG002KJA
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG002KJA
Chemical Name:
2-Propoxybenzoic acid
CAS Number:
2100-31-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD01075687
IUPAC Name:
2-propoxybenzoic acid
InChI:
InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
OXOWWPXTTOCKKU-UHFFFAOYSA-N
SMILES:
CCCOc1ccccc1C(=O)O
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
NMR relaxometric study of new Gd(III) macrocyclic complexes and their interaction with human serum albumin. Organic & biomolecular chemistry 20040221
Properties