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Methyl 1-cyclohexene-1-carboxylate

CAS No.:
18448-47-0
Catalog Number:
AG003RK8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$88
- +
10g
98%
In Stock USA
United States
$163
- +
25g
98%
In Stock USA
United States
$338
- +
100g
98%
In Stock USA
United States
$1013
- +
Product Description
Catalog Number:
AG003RK8
Chemical Name:
Methyl 1-cyclohexene-1-carboxylate
CAS Number:
18448-47-0
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00001544
IUPAC Name:
methyl cyclohexene-1-carboxylate
InChI:
InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChI Key:
KXPWRCPEMHIZGU-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCCC1
EC Number:
242-331-5
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Achieving regio- and enantioselectivity of P450-catalyzed oxidative CH activation of small functionalized molecules by structure-guided directed evolution. Chembiochem : a European journal of chemical biology 20120709
Properties