Home Carboxys 6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid

6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid

CAS No.:
56124-48-2
Catalog Number:
AG00E6XS
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
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Product Description
Catalog Number:
AG00E6XS
Chemical Name:
6-Methoxycarbonyl-3-cyclohexene-1-carboxylic acid
CAS Number:
56124-48-2
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD00757425
IUPAC Name:
6-methoxycarbonylcyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C9H12O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-3,6-7H,4-5H2,1H3,(H,10,11)
InChI Key:
MYYLMIDEMAPSGH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC=CCC1C(=O)O
NSC Number:
292899
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties