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88631-87-2 | 2H-1,5-Benzodioxepin-7-carboxaldehyde, 3,4-dihydro-6,9-dimethyl-
CAS No: 88631-87-2 Catalog No: AG0049UM MDL No:
Product Description
Catalog Number:
AG0049UM
Chemical Name:
2H-1,5-Benzodioxepin-7-carboxaldehyde, 3,4-dihydro-6,9-dimethyl-
CAS Number:
88631-87-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
6,9-dimethyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehyde
InChI:
InChI=1S/C12H14O3/c1-8-6-10(7-13)9(2)12-11(8)14-4-3-5-15-12/h6-7H,3-5H2,1-2H3
InChI Key:
WJALIXSOOXAYMQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c2c(c1C)OCCCO2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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