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113457-95-7 | 1,3-Propanediol, 2-[2-(1,3-dioxolan-2-yl)ethyl]-
CAS No: 113457-95-7 Catalog No: AG0008ND MDL No:
Product Description
Catalog Number:
AG0008ND
Chemical Name:
1,3-Propanediol, 2-[2-(1,3-dioxolan-2-yl)ethyl]-
CAS Number:
113457-95-7
Molecular Formula:
C8H16O4
Molecular Weight:
176.2102
IUPAC Name:
2-[2-(1,3-dioxolan-2-yl)ethyl]propane-1,3-diol
InChI:
InChI=1S/C8H16O4/c9-5-7(6-10)1-2-8-11-3-4-12-8/h7-10H,1-6H2
InChI Key:
HHZBIIBAPAUWOY-UHFFFAOYSA-N
SMILES:
OCC(CCC1OCCO1)CO
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.212g/mol
Monoisotopic Mass:
176.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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