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70342-29-9 | 1-Propanone, 1-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS No: 70342-29-9 Catalog No: AG005JVI MDL No:
Product Description
Catalog Number:
AG005JVI
Chemical Name:
1-Propanone, 1-(6-methoxy-1,3-benzodioxol-5-yl)-
CAS Number:
70342-29-9
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
1-(6-methoxy-1,3-benzodioxol-5-yl)propan-1-one
InChI:
InChI=1S/C11H12O4/c1-3-8(12)7-4-10-11(15-6-14-10)5-9(7)13-2/h4-5H,3,6H2,1-2H3
InChI Key:
XPHIRVUYIBXETG-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc2OCOc2cc1OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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