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Tetraacid

CAS No.:
35638-19-8
Catalog Number:
AG00C7KI
Molecular Formula:
C17H28O12
Molecular Weight:
424.3970
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$202
- +
5g
1 week
United States
$687
- +
Product Description
Catalog Number:
AG00C7KI
Chemical Name:
Tetraacid
CAS Number:
35638-19-8
Molecular Formula:
C17H28O12
Molecular Weight:
424.3970
MDL Number:
MFCD08669605
IUPAC Name:
3-[3-(2-carboxyethoxy)-2,2-bis(2-carboxyethoxymethyl)propoxy]propanoic acid
InChI:
InChI=1S/C17H28O12/c18-13(19)1-5-26-9-17(10-27-6-2-14(20)21,11-28-7-3-15(22)23)12-29-8-4-16(24)25/h1-12H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChI Key:
KIGSIPUDIPIMRD-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O
NSC Number:
80081
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.158g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
424.399g/mol
Monoisotopic Mass:
424.158g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
186A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  
Properties