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109856-96-4

109856-96-4 | 1,3-Benzodioxole-5-carboxaldehyde,6-(2-chloroethyl)-4-methoxy-

CAS No: 109856-96-4 Catalog No: AG0084U9 MDL No:

Product Description

Catalog Number:
AG0084U9
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde,6-(2-chloroethyl)-4-methoxy-
CAS Number:
109856-96-4
Molecular Formula:
C11H11ClO4
Molecular Weight:
242.6556
IUPAC Name:
6-(2-chloroethyl)-4-methoxy-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C11H11ClO4/c1-14-10-8(5-13)7(2-3-12)4-9-11(10)16-6-15-9/h4-5H,2-3,6H2,1H3
InChI Key:
XFMYFCKAWOMSDA-UHFFFAOYSA-N
SMILES:
ClCCc1cc2OCOc2c(c1C=O)OC

Properties

Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.655g/mol
Monoisotopic Mass:
242.035g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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