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113466-68-5

113466-68-5 | 2-Oxiranecarboxylic acid, 2-chloro-3-hexyl-, ethyl ester

CAS No: 113466-68-5 Catalog No: AG0008P4 MDL No:

Product Description

Catalog Number:
AG0008P4
Chemical Name:
2-Oxiranecarboxylic acid, 2-chloro-3-hexyl-, ethyl ester
CAS Number:
113466-68-5
Molecular Formula:
C11H19ClO3
Molecular Weight:
234.7198
IUPAC Name:
ethyl 2-chloro-3-hexyloxirane-2-carboxylate
InChI:
InChI=1S/C11H19ClO3/c1-3-5-6-7-8-9-11(12,15-9)10(13)14-4-2/h9H,3-8H2,1-2H3
InChI Key:
STNLWLKGCFWEBL-UHFFFAOYSA-N
SMILES:
CCCCCCC1OC1(Cl)C(=O)OCC

Properties

Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.102g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.72g/mol
Monoisotopic Mass:
234.102g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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