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22934-74-3 | 1,3-Benzodioxole, 4,5,7-trimethoxy-6-(2-propen-1-yl)-
CAS No: 22934-74-3 Catalog No: AG002LKT MDL No:
Product Description
Catalog Number:
AG002LKT
Chemical Name:
1,3-Benzodioxole, 4,5,7-trimethoxy-6-(2-propen-1-yl)-
CAS Number:
22934-74-3
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
4,5,7-trimethoxy-6-prop-2-enyl-1,3-benzodioxole
InChI:
InChI=1S/C13H16O5/c1-5-6-8-9(14-2)11(16-4)13-12(10(8)15-3)17-7-18-13/h5H,1,6-7H2,2-4H3
InChI Key:
IWGPXDGGZYMDJF-UHFFFAOYSA-N
SMILES:
C=CCc1c(OC)c(OC)c2c(c1OC)OCO2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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