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89097-46-1 | 1,2-Propanediol, 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS No: 89097-46-1 Catalog No: AG0040EX MDL No:
Product Description
Catalog Number:
AG0040EX
Chemical Name:
1,2-Propanediol, 3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]-
CAS Number:
89097-46-1
Molecular Formula:
C12H16O5
Molecular Weight:
240.2524
IUPAC Name:
3-[(2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]propane-1,2-diol
InChI:
InChI=1S/C12H16O5/c1-12(2)16-10-5-3-4-9(11(10)17-12)15-7-8(14)6-13/h3-5,8,13-14H,6-7H2,1-2H3
InChI Key:
FOIYYCVGWSLGAU-UHFFFAOYSA-N
SMILES:
OCC(COc1cccc2c1OC(O2)(C)C)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.255g/mol
Monoisotopic Mass:
240.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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