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163462-36-0 | 1,3-Benzodioxole, 5-[3-methyl-5-(1-propen-1-yl)-2-benzofuranyl]-
CAS No: 163462-36-0 Catalog No: AG001U4T MDL No:
Product Description
Catalog Number:
AG001U4T
Chemical Name:
1,3-Benzodioxole, 5-[3-methyl-5-(1-propen-1-yl)-2-benzofuranyl]-
CAS Number:
163462-36-0
Molecular Formula:
C19H16O3
Molecular Weight:
292.3285
IUPAC Name:
5-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)-1,3-benzodioxole
InChI:
InChI=1S/C19H16O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3
InChI Key:
SFFQJYFGYNAPSW-UHFFFAOYSA-N
SMILES:
CC=Cc1ccc2c(c1)c(C)c(o2)c1ccc2c(c1)OCO2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.11g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.334g/mol
Monoisotopic Mass:
292.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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