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138977-77-2 | Propanal, 3-(4-chlorophenoxy)-
CAS No: 138977-77-2 Catalog No: AG0019YV MDL No:
Product Description
Catalog Number:
AG0019YV
Chemical Name:
Propanal, 3-(4-chlorophenoxy)-
CAS Number:
138977-77-2
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
IUPAC Name:
3-(4-chlorophenoxy)propanal
InChI:
InChI=1S/C9H9ClO2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-6H,1,7H2
InChI Key:
RTHYQTNEJIKYCN-UHFFFAOYSA-N
SMILES:
O=CCCOc1ccc(cc1)Cl
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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