Home Carbonyls 3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid

3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid

CAS No.:
99469-99-5
Catalog Number:
AG003JDM
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$29
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003JDM
Chemical Name:
3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid
CAS Number:
99469-99-5
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD08704233
IUPAC Name:
2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid
InChI:
InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
InChI Key:
OTGSESBEJUHCES-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C(=O)OCC)CC(=O)O
UNII:
GG6C71LIOD
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties