Home Other Building Blocks 3,4-dihydro-2H-1,5-benzodioxepin-7-ol

3,4-dihydro-2H-1,5-benzodioxepin-7-ol

CAS No.:
63712-27-6
Catalog Number:
AG01A9KV
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
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Product Description
Catalog Number:
AG01A9KV
Chemical Name:
3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CAS Number:
63712-27-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD11104763
IUPAC Name:
3,4-dihydro-2H-1,5-benzodioxepin-7-ol
InChI:
InChI=1S/C9H10O3/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6,10H,1,4-5H2
InChI Key:
PRTZXDPIVPFBFR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)OCCCO2
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties