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89635-57-4 | Butanal, 4-(2-chlorophenoxy)-2,2-dimethyl-3-oxo-
CAS No: 89635-57-4 Catalog No: AG003W8R MDL No:
Product Description
Catalog Number:
AG003W8R
Chemical Name:
Butanal, 4-(2-chlorophenoxy)-2,2-dimethyl-3-oxo-
CAS Number:
89635-57-4
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
4-(2-chlorophenoxy)-2,2-dimethyl-3-oxobutanal
InChI:
InChI=1S/C12H13ClO3/c1-12(2,8-14)11(15)7-16-10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3
InChI Key:
ZEKWGAIFXFOTJY-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)COc1ccccc1Cl)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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