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89326-65-8 | Pentanoyl chloride, 5-(4-methylphenoxy)-
CAS No: 89326-65-8 Catalog No: AG003YHU MDL No:
Product Description
Catalog Number:
AG003YHU
Chemical Name:
Pentanoyl chloride, 5-(4-methylphenoxy)-
CAS Number:
89326-65-8
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
5-(4-methylphenoxy)pentanoyl chloride
InChI:
InChI=1S/C12H15ClO2/c1-10-5-7-11(8-6-10)15-9-3-2-4-12(13)14/h5-8H,2-4,9H2,1H3
InChI Key:
NDIOAFBHVLSDKU-UHFFFAOYSA-N
SMILES:
ClC(=O)CCCCOc1ccc(cc1)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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