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113439-62-6 | 1,3-Benzodioxole, 2-butoxy-
CAS No: 113439-62-6 Catalog No: AG0008LG MDL No:
Product Description
Catalog Number:
AG0008LG
Chemical Name:
1,3-Benzodioxole, 2-butoxy-
CAS Number:
113439-62-6
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-butoxy-1,3-benzodioxole
InChI:
InChI=1S/C11H14O3/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-11/h4-7,11H,2-3,8H2,1H3
InChI Key:
UNUIMFLYUMXFLF-UHFFFAOYSA-N
SMILES:
CCCCOC1Oc2c(O1)cccc2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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