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Home > Other Heterocycles > 30830-56-9
30830-56-9 | 4-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)butan-2-one
CAS No: 30830-56-9 Catalog No: AG01AAAT MDL No:MFCD09891024
Product Description
Catalog Number:
AG01AAAT
Chemical Name:
4-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)butan-2-one
CAS Number:
30830-56-9
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD09891024
IUPAC Name:
4-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-2-one
InChI:
InChI=1S/C12H14O3/c1-9(13)2-3-10-4-5-11-12(8-10)15-7-6-14-11/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
QJEXWKZOUGAVJJ-UHFFFAOYSA-N
SMILES:
CC(=O)CCc1ccc2c(c1)OCCO2
NSC Number:
174845
Properties
Complexity:
227
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:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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