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20575-83-1 | Propanoic acid, 3,3'-[1,3-propanediylbis(oxy)]bis-
CAS No: 20575-83-1 Catalog No: AG002AC8 MDL No:
Product Description
Catalog Number:
AG002AC8
Chemical Name:
Propanoic acid, 3,3'-[1,3-propanediylbis(oxy)]bis-
CAS Number:
20575-83-1
Molecular Formula:
C9H16O6
Molecular Weight:
220.2197
IUPAC Name:
3-[3-(2-carboxyethoxy)propoxy]propanoic acid
InChI:
InChI=1S/C9H16O6/c10-8(11)2-6-14-4-1-5-15-7-3-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChI Key:
IJSFQTQPYISNEF-UHFFFAOYSA-N
SMILES:
OC(=O)CCOCCCOCCC(=O)O
NSC Number:
361678
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.221g/mol
Monoisotopic Mass:
220.095g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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