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160093-13-0 | 1,3-Dioxepin, 4,5-dihydro-5-(4-methylphenyl)-
CAS No: 160093-13-0 Catalog No: AG001RNO MDL No:
Product Description
Catalog Number:
AG001RNO
Chemical Name:
1,3-Dioxepin, 4,5-dihydro-5-(4-methylphenyl)-
CAS Number:
160093-13-0
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
5-(4-methylphenyl)-4,5-dihydro-1,3-dioxepine
InChI:
InChI=1S/C12H14O2/c1-10-2-4-11(5-3-10)12-6-7-13-9-14-8-12/h2-7,12H,8-9H2,1H3
InChI Key:
FSPROHMSRIPFQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1COCOC=C1
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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