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82343-50-8

82343-50-8 | 2-Hexenoic acid, 5-chloro-3,5-dimethyl-, ethyl ester, (E)-

CAS No: 82343-50-8 Catalog No: AG004YOC MDL No:

Product Description

Catalog Number:
AG004YOC
Chemical Name:
2-Hexenoic acid, 5-chloro-3,5-dimethyl-, ethyl ester, (E)-
CAS Number:
82343-50-8
Molecular Formula:
C10H17ClO2
Molecular Weight:
204.6938
IUPAC Name:
ethyl 5-chloro-3,5-dimethylhex-2-enoate
InChI:
InChI=1S/C10H17ClO2/c1-5-13-9(12)6-8(2)7-10(3,4)11/h6H,5,7H2,1-4H3
InChI Key:
KXGREWLVVMRLNH-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/CC(Cl)(C)C)\C

Properties

Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.092g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.694g/mol
Monoisotopic Mass:
204.092g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3  

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