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55387-85-4 | 2-(2,2-DIETHOXYETHYL)-1,3-PROPANEDIOL
CAS No: 55387-85-4 Catalog No: AG003EQ6 MDL No:MFCD00671524
Product Description
Catalog Number:
AG003EQ6
Chemical Name:
2-(2,2-DIETHOXYETHYL)-1,3-PROPANEDIOL
CAS Number:
55387-85-4
Molecular Formula:
C9H20O4
Molecular Weight:
192.2527
MDL Number:
MFCD00671524
IUPAC Name:
2-(2,2-diethoxyethyl)propane-1,3-diol
InChI:
InChI=1S/C9H20O4/c1-3-12-9(13-4-2)5-8(6-10)7-11/h8-11H,3-7H2,1-2H3
InChI Key:
HKZYWLNVGYRMDG-UHFFFAOYSA-N
SMILES:
CCOC(CC(CO)CO)OCC
Properties
Complexity:
97.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.255g/mol
Monoisotopic Mass:
192.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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