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189997-53-3 | 1,2-Propanediol, 3-(3-butoxy-2-hydroxypropoxy)-
CAS No: 189997-53-3 Catalog No: AG002E72 MDL No:
Product Description
Catalog Number:
AG002E72
Chemical Name:
1,2-Propanediol, 3-(3-butoxy-2-hydroxypropoxy)-
CAS Number:
189997-53-3
Molecular Formula:
C10H22O5
Molecular Weight:
222.2787
IUPAC Name:
3-(3-butoxy-2-hydroxypropoxy)propane-1,2-diol
InChI:
InChI=1S/C10H22O5/c1-2-3-4-14-7-10(13)8-15-6-9(12)5-11/h9-13H,2-8H2,1H3
InChI Key:
KLQKXYRDMQCNGH-UHFFFAOYSA-N
SMILES:
CCCCOCC(COCC(CO)O)O
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.281g/mol
Monoisotopic Mass:
222.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
79.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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