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113897-27-1 | 1,3-Propanediol, 2-(1,3-dioxolan-2-ylmethyl)-
CAS No: 113897-27-1 Catalog No: AG000A11 MDL No:
Product Description
Catalog Number:
AG000A11
Chemical Name:
1,3-Propanediol, 2-(1,3-dioxolan-2-ylmethyl)-
CAS Number:
113897-27-1
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
IUPAC Name:
2-(1,3-dioxolan-2-ylmethyl)propane-1,3-diol
InChI:
InChI=1S/C7H14O4/c8-4-6(5-9)3-7-10-1-2-11-7/h6-9H,1-5H2
InChI Key:
VKSDGCQNRDJHHB-UHFFFAOYSA-N
SMILES:
OCC(CC1OCCO1)CO
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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