Home Other Building Blocks 1-(2H-1,3-benzodioxol-4-yl)ethan-1-one

1-(2H-1,3-benzodioxol-4-yl)ethan-1-one

CAS No.:
33842-14-7
Catalog Number:
AG01C3I3
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
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Product Description
Catalog Number:
AG01C3I3
Chemical Name:
1-(2H-1,3-benzodioxol-4-yl)ethan-1-one
CAS Number:
33842-14-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD13689051
IUPAC Name:
1-(1,3-benzodioxol-4-yl)ethanone
InChI:
InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8-9(7)12-5-11-8/h2-4H,5H2,1H3
InChI Key:
OFSKUXTYCXGOIU-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc2c1OCO2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties