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88631-83-8 | 2H-1,5-Benzodioxepin, 3,4-dihydro-6,9-dimethyl-
CAS No: 88631-83-8 Catalog No: AG0049UN MDL No:
Product Description
Catalog Number:
AG0049UN
Chemical Name:
2H-1,5-Benzodioxepin, 3,4-dihydro-6,9-dimethyl-
CAS Number:
88631-83-8
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
6,9-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine
InChI:
InChI=1S/C11H14O2/c1-8-4-5-9(2)11-10(8)12-6-3-7-13-11/h4-5H,3,6-7H2,1-2H3
InChI Key:
QOOQILDTIBDWMP-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1OCCCO2)C
Properties
Complexity:
152
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:
2.7
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