sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 4-Carboxyphenylacetic acid

4-Carboxyphenylacetic acid

CAS No.:
501-89-3
Catalog Number:
AG0037RN
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$9
- +
5g
95%
In Stock USA
United States
$33
- +
10g
95%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0037RN
Chemical Name:
4-Carboxyphenylacetic acid
CAS Number:
501-89-3
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD01074834
IUPAC Name:
4-(carboxymethyl)benzoic acid
InChI:
InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
DMEDOWYXHVUPMO-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)C(=O)O
NSC Number:
2109
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Diaqua-bis-[1,2-bis-(pyridin-4-yl)ethene]-bis-[2-(4-carboxy-phen-yl)acetato]-cobalt(II). Acta crystallographica. Section E, Structure reports online 20110701
Properties