Home Halogens methyl 6-chloro-5-oxoheptanoate

methyl 6-chloro-5-oxoheptanoate

CAS No.:
344294-91-3
Catalog Number:
AG01BJ9E
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
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Product Description
Catalog Number:
AG01BJ9E
Chemical Name:
methyl 6-chloro-5-oxoheptanoate
CAS Number:
344294-91-3
Molecular Formula:
C8H13ClO3
Molecular Weight:
192.6400
MDL Number:
MFCD20625754
IUPAC Name:
methyl 6-chloro-5-oxoheptanoate
InChI:
InChI=1S/C8H13ClO3/c1-6(9)7(10)4-3-5-8(11)12-2/h6H,3-5H2,1-2H3
InChI Key:
VITSKVBTNATBGD-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)C(Cl)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.055g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.639g/mol
Monoisotopic Mass:
192.055g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties