Home Halogens Methyl 4-chloro-2,2-dimethylpent-4-enoate

Methyl 4-chloro-2,2-dimethylpent-4-enoate

CAS No.:
86799-85-1
Catalog Number:
AG004JHE
Molecular Formula:
C8H13ClO2
Molecular Weight:
176.6406
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$67
- +
5g
99%
1 week
United States
$94
- +
Product Description
Catalog Number:
AG004JHE
Chemical Name:
Methyl 4-chloro-2,2-dimethylpent-4-enoate
CAS Number:
86799-85-1
Molecular Formula:
C8H13ClO2
Molecular Weight:
176.6406
MDL Number:
MFCD00075437
IUPAC Name:
methyl 4-chloro-2,2-dimethylpent-4-enoate
InChI:
InChI=1S/C8H13ClO2/c1-6(9)5-8(2,3)7(10)11-4/h1,5H2,2-4H3
InChI Key:
NMIYZQVNXZOOPF-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(=C)Cl)(C)C
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.06g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.64g/mol
Monoisotopic Mass:
176.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties