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1011-48-9 | Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS No: 1011-48-9 Catalog No: AG0003RO MDL No:MFCD00457680
Product Description
Catalog Number:
AG0003RO
Chemical Name:
Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-
CAS Number:
1011-48-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
MDL Number:
MFCD00457680
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
InChI:
InChI=1S/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3
InChI Key:
KVCWAZWJLMNADA-UHFFFAOYSA-N
SMILES:
CC(=O)C1COc2c(O1)cccc2
EC Number:
213-783-0
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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