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14198-77-7 | 2,4-Benzodioxepin, 1,5-dihydro-3,3-dimethyl-
CAS No: 14198-77-7 Catalog No: AG001HI3 MDL No:
Product Description
Catalog Number:
AG001HI3
Chemical Name:
2,4-Benzodioxepin, 1,5-dihydro-3,3-dimethyl-
CAS Number:
14198-77-7
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
3,3-dimethyl-1,5-dihydro-2,4-benzodioxepine
InChI:
InChI=1S/C11H14O2/c1-11(2)12-7-9-5-3-4-6-10(9)8-13-11/h3-6H,7-8H2,1-2H3
InChI Key:
WHGAGANNWNOPEP-UHFFFAOYSA-N
SMILES:
CC1(C)OCc2c(CO1)cccc2
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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