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951890-15-6 | Ethyl 5-(4-Chloro-3-methylphenyl)-5-oxovalerate
CAS No: 951890-15-6 Catalog No: AG01F9YM MDL No:
Product Description
Catalog Number:
AG01F9YM
Chemical Name:
Ethyl 5-(4-Chloro-3-methylphenyl)-5-oxovalerate
CAS Number:
951890-15-6
Molecular Formula:
C14H17ClO3
Molecular Weight:
268.7360
IUPAC Name:
ethyl 5-(4-chloro-3-methylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C14H17ClO3/c1-3-18-14(17)6-4-5-13(16)11-7-8-12(15)10(2)9-11/h7-9H,3-6H2,1-2H3
InChI Key:
HIBWDOGABNLCKK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(c(c1)C)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.737g/mol
Monoisotopic Mass:
268.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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