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142169-23-1 | 2,4-Benzodioxepin, 3-ethenyl-1,5-dihydro-
CAS No: 142169-23-1 Catalog No: AG001HWD MDL No:
Product Description
Catalog Number:
AG001HWD
Chemical Name:
2,4-Benzodioxepin, 3-ethenyl-1,5-dihydro-
CAS Number:
142169-23-1
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
3-ethenyl-1,5-dihydro-2,4-benzodioxepine
InChI:
InChI=1S/C11H12O2/c1-2-11-12-7-9-5-3-4-6-10(9)8-13-11/h2-6,11H,1,7-8H2
InChI Key:
PQAODJNNLDUKSA-UHFFFAOYSA-N
SMILES:
C=CC1OCc2c(CO1)cccc2
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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