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141339-90-4 | Pentanoic acid, 2-chloro-3-oxo-, 1,1-dimethylethyl ester
CAS No: 141339-90-4 Catalog No: AG001G94 MDL No:
Product Description
Catalog Number:
AG001G94
Chemical Name:
Pentanoic acid, 2-chloro-3-oxo-, 1,1-dimethylethyl ester
CAS Number:
141339-90-4
Molecular Formula:
C9H15ClO3
Molecular Weight:
206.6666
IUPAC Name:
tert-butyl 2-chloro-3-oxopentanoate
InChI:
InChI=1S/C9H15ClO3/c1-5-6(11)7(10)8(12)13-9(2,3)4/h7H,5H2,1-4H3
InChI Key:
VQFBKAYPBFZPIT-UHFFFAOYSA-N
SMILES:
CCC(=O)C(C(=O)OC(C)(C)C)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.666g/mol
Monoisotopic Mass:
206.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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