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776-79-4,MFCD00016550
Catalog No.:AA003HXN
776-79-4 | 2-(2-Carboxyethyl)benzoic acid
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Purity
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Price(USD)
Quantity
  
250mg
98%
in stock  
$45.00   $31.00
- +
1g
98%
in stock  
$112.00   $78.00
- +
25g
95%
in stock  
$2,358.00   $1,650.00
- +
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Technical Information
Catalog Number:
AA003HXN
Chemical Name:
2-(2-Carboxyethyl)benzoic acid
CAS Number:
776-79-4
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00016550
IUPAC Name:
2-(2-carboxyethyl)benzoic acid
InChI:
InChI=1S/C10H10O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChI Key:
VEEXBQLWMFMATJ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccccc1C(=O)O
NSC Number:
16637
Properties
Computed Properties
 
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
2-(2-carboxyethyl)benzoic acid 
776-79-4 
SCHEMBL29062 
AC1Q758Y 
Benzenepropanoic acid,2-carboxy- 
CTK5E4768 
2-(2-carboxyethyl) benzoic acid 
2-(2-carboxyethyl)-benzoic acid 
DTXSID10280376 
VEEXBQLWMFMATJ-UHFFFAOYSA-N 
KS-00000N9S 
ZINC4683163 
3-(2-Carboxyphenyl)propionic acid 
ZX-RL004014 
ANW-47786 
MFCD00016550 
NSC-16637 
AKOS005216393 
ACN-051122 
CS-W010663 
MB00245 
MCULE-9938671725 
TRA0033953 
2-Carboxybenzenepropanoic acid 
2-(3-hydroxy-3-oxopropyl)benzoic acid 
3-(2-Carboxyphenyl)propionic acid, 99% 
AJ-51895 
BC657143 
BR-36366 
DS-12917 
OR301314 
SC-43531 
3-(2-CARBOXYPHENYL)PROPANOIC ACID 
AB0000621 
BENZENEPROPANOIC ACID, 2-CARBOXY- 
AX8079297 
DB-075362 
ST2416035 
TC-066466 
4CH-015345 
AM20041166 
FT-0084149 
FT-0613529 
ST50994942 
W8422 
AK-36366 
S-1055 
A839161 
C-57438 
S01-0337 
4-(2-carboxyethyl)benzoic Acid 
C10H10O4 
CID226294 
1091606-67-5 
NSC16637 
ACMC-209xks 
AC1L5ENT 
2-Carboxyhydrocinnamic acid 
Literature
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