Home Carboxys 3-(carboxymethyl)pentanedioic acid

3-(carboxymethyl)pentanedioic acid

CAS No.:
57056-39-0
Catalog Number:
AG00EQ0X
Molecular Formula:
C7H10O6
Molecular Weight:
190.1507
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Product Description
Catalog Number:
AG00EQ0X
Chemical Name:
3-(carboxymethyl)pentanedioic acid
CAS Number:
57056-39-0
Molecular Formula:
C7H10O6
Molecular Weight:
190.1507
MDL Number:
MFCD18974022
IUPAC Name:
3-(carboxymethyl)pentanedioic acid
InChI:
InChI=1S/C7H10O6/c8-5(9)1-4(2-6(10)11)3-7(12)13/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
XYKQMCAWQYSNKA-UHFFFAOYSA-N
SMILES:
OC(=O)CC(CC(=O)O)CC(=O)O
NSC Number:
23786
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
190.151g/mol
Monoisotopic Mass:
190.048g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Literature
Title Journal
The construction of open Gd(III) metal-organic frameworks based on methanetriacetic acid: new objects with an old ligand. Chemistry (Weinheim an der Bergstrasse, Germany) 20100406
Properties