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13987-64-9

13987-64-9 | Propanoic acid, 3,3'-oxybis[2,2-dimethyl-

CAS No: 13987-64-9 Catalog No: AG001BRK MDL No:

Product Description

Catalog Number:
AG001BRK
Chemical Name:
Propanoic acid, 3,3'-oxybis[2,2-dimethyl-
CAS Number:
13987-64-9
Molecular Formula:
C10H18O5
Molecular Weight:
218.2469
IUPAC Name:
3-(2-carboxy-2-methylpropoxy)-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C10H18O5/c1-9(2,7(11)12)5-15-6-10(3,4)8(13)14/h5-6H2,1-4H3,(H,11,12)(H,13,14)
InChI Key:
RZMGIAXXDGGROO-UHFFFAOYSA-N
SMILES:
OC(=O)C(COCC(C(=O)O)(C)C)(C)C

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.249g/mol
Monoisotopic Mass:
218.115g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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