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139471-23-1 | 1,2-Propanediol, 3-[4-(2-oxiranylmethoxy)butoxy]-
CAS No: 139471-23-1 Catalog No: AG001B3K MDL No:MFCD22370177
Product Description
Catalog Number:
AG001B3K
Chemical Name:
1,2-Propanediol, 3-[4-(2-oxiranylmethoxy)butoxy]-
CAS Number:
139471-23-1
Molecular Formula:
C10H20O5
Molecular Weight:
220.2628
MDL Number:
MFCD22370177
IUPAC Name:
3-[4-(oxiran-2-ylmethoxy)butoxy]propane-1,2-diol
InChI:
InChI=1S/C10H20O5/c11-5-9(12)6-13-3-1-2-4-14-7-10-8-15-10/h9-12H,1-8H2
InChI Key:
UIZSTOKJCYSUEF-UHFFFAOYSA-N
SMILES:
OCC(COCCCCOCC1CO1)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.265g/mol
Monoisotopic Mass:
220.131g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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