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13235-78-4 | Ethanol, 2-(2,2-dibutoxyethoxy)-, 1-formate
CAS No: 13235-78-4 Catalog No: AG0010KR MDL No:
Product Description
Catalog Number:
AG0010KR
Chemical Name:
Ethanol, 2-(2,2-dibutoxyethoxy)-, 1-formate
CAS Number:
13235-78-4
Molecular Formula:
C13H26O5
Molecular Weight:
262.3425
IUPAC Name:
2-(2,2-dibutoxyethoxy)ethanol;formic acid
InChI:
InChI=1S/C12H26O4.CH2O2/c1-3-5-8-15-12(11-14-10-7-13)16-9-6-4-2;2-1-3/h12-13H,3-11H2,1-2H3;1H,(H,2,3)
InChI Key:
CYUNXQAQXQYMDL-UHFFFAOYSA-N
SMILES:
CCCCOC(OCCCC)COCCOC=O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.361g/mol
Monoisotopic Mass:
280.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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