Home Halogens Pentanoic acid, 5-chloro-3,3-dimethyl-, ethyl ester

Pentanoic acid, 5-chloro-3,3-dimethyl-, ethyl ester

CAS No.:
74580-61-3
Catalog Number:
AG005W4P
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
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Product Description
Catalog Number:
AG005W4P
Chemical Name:
Pentanoic acid, 5-chloro-3,3-dimethyl-, ethyl ester
CAS Number:
74580-61-3
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
MDL Number:
MFCD24849951
IUPAC Name:
ethyl 5-chloro-3,3-dimethylpentanoate
InChI:
InChI=1S/C9H17ClO2/c1-4-12-8(11)7-9(2,3)5-6-10/h4-7H2,1-3H3
InChI Key:
ZDPWQLGEPYDHGV-UHFFFAOYSA-N
SMILES:
ClCCC(CC(=O)OCC)(C)C
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties